Tag: M.W=400-450

Yang, J. J. published the artcileStreamlined MRM method transfer between instruments assisted with HRMS matching and retention-time prediction, Formula: C21H24O8, the publication is Analytica Chimica Acta (2020), 88-96, database is CAplus and MEDLINE.

Multiple reaction monitoring (MRM) mode using liquid-chromatog. tandem mass spectrometry (e.g., LC-QqQ-MS/MS) has been extensively employed in the small mol. anal. with trace levels in complex samples owing to its high sensitivity. However, most of the reported MRM methods are developed using authentic standards, which are often costly yet not readily available. To address this question, a practical platform for the MRM method transfer between different LC-QqQ-MS/MS instruments, assisted by the high-resolution mass spectrometry (LC-HRMS) and retention time (RT) prediction, has been developed in this study. The reported platform can take advantage of both the high sensitivity of LC-MRM method and ion transition pairs from the previous publications. LC-HRMS can provide the accurate mass measurement of the compounds, though high-quality MS/MS fragments are usually difficult to obtain for chems. at trace levels. Retention time matching and peaks matching between both instrumental platforms rule out isobaric candidates. With an addnl. retention time prediction filter from quant. structure retention relationship (QSRR) model based on random forest feature selection (Pearson r² = 0.63), identification of small mols. is achieved at a high confidence level without using authentic standards The developed platform has been validated with robustness by examining spiked environmental chems. in sludge water samples, biol. urine, and cell extracts

Analytica Chimica Acta published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C6H13I, Formula: C21H24O8.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics

Nachman, Rebecca M. published the artcileSerial Free Bisphenol A and Bisphenol A Glucuronide Concentrations in Neonates, Computed Properties of 267244-08-6, the publication is Journal of Pediatrics (New York, NY, United States) (2015), 167(1), 64-69, database is CAplus and MEDLINE.

To determine the balance of metabolism of free bisphenol A (BPA) to the inactive conjugate, BPA glucuronide (BPAG), in neonates. Free BPA and BPAG concentrations were measured in 78 urine samples collected between Dec. 2012 and August 2013 from a cohort of 44 healthy full term (≥37 wk’ gestation) neonates at 2 intervals (3-6 days and 7-27 days of age). A questionnaire was administered at the time of sample collection. Neonates recruited into the study were born in an urban, tertiary care hospital. Only BPAG was detected in the urine samples; concentrations ranged from <0.1 μg/L to 11.21 μg/L (median: 0.27 μg/L). Free BPA concentrations were below the limit of quantification of 0.1 μg/L. Age, but not sex or type of diet, was significantly associated with urinary BPAG concentration (P = .002). Our results illustrate widespread BPA exposure in healthy full-term neonates and efficient conjugation of BPA to its readily excretable and biol. inactive form (BPAG) as early as 3 days of age. Factors other than type of diet may be important contributors to BPA exposure in neonates.

Journal of Pediatrics (New York, NY, United States) published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C21H24O8, Computed Properties of 267244-08-6.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics

Mosley, Jonathan D. published the artcileHigh-resolution mass spectrometry of skin mucus for monitoring physiological impacts and contaminant biotransformation products in fathead minnows exposed to wastewater effluent, Category: tetrahydropyran, the publication is Environmental Toxicology and Chemistry (2018), 37(3), 788-796, database is CAplus and MEDLINE.

High-resolution mass spectrometry is advantageous for monitoring physiol. impacts and contaminant biotransformation products in fish exposed to complex wastewater effluent. The authors evaluated this technique using skin mucus from male and female fathead minnows (Pimephales promelas) exposed to control water or treated wastewater effluent at 5, 20, and 100% levels for 21 d, using an on-site, flow-through system providing real-time exposure. Both sex-specific and non-sex-specific responses were observed in the mucus metabolome, the latter suggesting the induction of general compensatory pathways for xenobiotic exposures. Altogether, 85 statistically significant treatment-dependent metabolite changes were observed out of the 310 total endogenous metabolites that were detected (156 of the 310 were annotated). Partial least squares-regression models revealed strong covariances between the mucus metabolomes and up-regulated hepatic mRNA transcripts reported previously for these same fish. These regression models suggest that mucus metabolomic changes reflected, in part, processes by which the fish biotransformed xenobiotics in the effluent. In keeping with this observation, the authors detected a phase II transformation product of bisphenol A in the skin mucus of male fish. Collectively, these findings demonstrate the utility of mucus as a minimally invasive matrix for simultaneously assessing exposures and effects of environmentally relevant mixtures of contaminants. Environ Toxicol Chem 2017;9999:1-9. Published 2017 Wiley Periodicals Inc. on behalf of SETAC. This article is a US government work and, as such, is in the public domain in the United States of America.

Environmental Toxicology and Chemistry published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C21H24O8, Category: tetrahydropyran.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics

Niyonsaba, Edouard published the artcileDifferentiation of Deprotonated Acyl-, N-, and O-Glucuronide Drug Metabolites by Using Tandem Mass Spectrometry Based on Gas-Phase Ion-Molecule Reactions Followed by Collision-Activated Dissociation, Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, the publication is Analytical Chemistry (Washington, DC, United States) (2019), 91(17), 11388-11396, database is CAplus and MEDLINE.

Glucuronidation, a common phase II biotransformation reaction, is one of the major in vitro and in vivo metabolism pathways of xenobiotics. In this process, glucuronic acid is conjugated to a drug or a drug metabolite via a carboxylic acid, a hydroxy, or an amino group to form acyl, O-, and/or N-glucuronide metabolites, resp. This process is traditionally thought to be a detoxification pathway. However, some acyl glucuronides react with biomols. in vivo, which may result in immune-mediated idiosyncratic drug toxicity (IDT). In order to avoid this, one may attempt in early drug discovery to modify the lead compounds in such a manner that they then have a lower probability of forming reactive acyl glucuronide metabolites. Because most drugs or drug candidates bear multiple functionalities, e.g., hydroxy, amino, and carboxylic acid groups, glucuronidation can occur at any of those. However, differentiation of isomeric acyl, N- and O-glucuronide derivatives of drugs is challenging. In this study, gas-phase ion-mol. reactions between deprotonated glucuronide metabolites and BF3 followed by collision-activated dissociation (CAD) in a linear quadrupole ion trap mass spectrometer were demonstrated to enable the differentiation of acyl, N-, and O-glucuronides. Only deprotonated N-glucuronides and deprotonated, migrated acyl glucuronides form the two diagnostic product ions: a BF3 adduct that has lost two HF mols., [M – H + BF3-2 HF]-, and an adduct formed with two BF3 mols. that has lost three HF mols., [M – H + 2 BF3-3 HF]-. These product ions were not observed for deprotonated O-glucuronides and unmigrated, deprotonated acyl glucuronides. Upon CAD of the [M – H + 2 BF3-3 HF]- product ion, a diagnostic fragment ion is formed via the loss of 2-fluoro-1,3,2-dioxaborale (MW of 88 Da) only in the case of deprotonated, migrated acyl glucuronides. Therefore, this method can be used to unambiguously differentiate acyl, N- and O-glucuronides. Further, coupling this method-ol. with HPLC enables the differentiation of unmigrated 1-β-acyl glucuronides from the isomeric acyl glucuronides formed upon acyl migration. Quantum chem. calculations at the M06-2X/6-311++G(d,p) level of theory were employed to probe the mechanisms of the reactions of interest.

Analytical Chemistry (Washington, DC, United States) published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C21H24O8, Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics

Pottenger, Lynn H. published the artcileThe relative bioavailability and metabolism of bisphenol A in rats is dependent upon the route of administration, Category: tetrahydropyran, the publication is Toxicological Sciences (2000), 54(1), 3-18, database is CAplus and MEDLINE.

Bisphenol A (BPA) is used to produce polymers for food contact applications, thus there is potential for oral exposure of humans to trace amounts via the diet. BPA was weakly estrogenic in screening assays measuring uterine weight/response, although much higher oral doses of BPA were required to elicit a uterotropic response as compared to other routes of administration. The objective of this study was to determine if a route dependency exists in the pharmacokinetics and metabolism of ¹⁴C-labeled BPA following single oral (po), i.p., or s.c. doses of either 10 or 100 mg/kg to Fischer 344 rats. Results indicated a marked route dependency in the pharmacokinetics of BPA. The relative bioavailability of BPA and plasma radioactivity was markedly lower following oral administration as compared to s.c. or i.p. administration. The major fraction of plasma radioactivity following oral dosing was the monoglucuronide conjugate of BPA (68-100% of plasma radioactivity). BPA was the major component in plasma at Cmax following s.c. or i.p. administration exceeded only by BPA-monoglucuronide in females dosed i.p. Up to four addnl. unidentified metabolites were present only in the plasma of animals dosed i.p. or s.c. One of these, found only following i.p. administration, was tentatively identified as the monosulfate conjugate of BPA. The monoglucuronide conjugate was the major urinary metabolite; unchanged BPA was the principal component excreted in feces. These results demonstrated a route dependency of BPA bioavailability in rats, with oral administration resulting in the lowest bioavailability, and offer an explanation for the apparent route differences in estrogenic potency observed for BPA.

Toxicological Sciences published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C21H24O8, Category: tetrahydropyran.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics

Waechter, J. Jr. published the artcileFactors affecting the accuracy of bisphenol A and bisphenol A-monoglucuronide estimates in mammalian tissues and urine samples, Application of (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, the publication is Toxicology Mechanisms and Methods (2007), 17(1), 13-24, database is CAplus and MEDLINE.

Bisphenol A (BPA) (CAS Number 80-05-7; EINECS Number 201-245-8) is used in the production of plastics having food contact applications. Some biomonitoring studies have reported free BPA in blood or urine of humans. Since complete 1st-pass metabolism of orally administered BPA to BPA-monoglucuronide (BPA-G) occurs in humans, the presence of free BPA in human specimens raises questions as to the origin and/or possible sources of the free BPA. We hypothesized that BPA-G instability during specimen collection and anal. contributes to the presence of free BPA in the biol. samples. Investigation of the in vitro hydrolysis of BPA-G in blood plasma, tissue homogenates, and diluted urine from laboratory rats and in aqueous/organic solutions commonly used for extraction in BPA analyses lent support to the hypothesis of BPA-G instability as a possible source of free BPA determinations in the biol. specimens. Hydrolysis of BPA-G occurred at neutral pH and room temperature in diluted urine and in rat placental or fetal tissue homogenates at room temperature Hydrolysis of BPA-G in aqueous/organic solutions began within minutes at pH 2 and 80°C. BPA-G was degraded to an unidentified compound in a urine/water mixture or when stored in a 25/75 mixture of urine/acetonitrile at pH 9 at either 22 or 80°C. Based upon these experiments, it was concluded that methods demonstrating BPA-G stability or accounting for its instability during anal. are warranted in studies designed to measure free BPA in biol. specimens.

Toxicology Mechanisms and Methods published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C19H28BNO4, Application of (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics

Cho, Seung Hee published the artcileUrinary bisphenol A versus serum bisphenol A concentration and ovarian reproductive outcomes among IVF patients: Which is a better biomarker of BPA exposure?, Synthetic Route of 267244-08-6, the publication is Molecular & Cellular Toxicology (2017), 13(4), 351-359, database is CAplus.

A review. Bisphenol A (BPA) is an endocrine-disrupting compound (EDC) that is used widely in com. products in the production of polycarbonate plastics for baby and water bottles, epoxy resins for lacquer lining of food and beverage cans and water pipes, dental sealants, dental composites and thermal receipts paper. There is inhibitory effect of BPA on nuclear estrogen (E2) production in granulosa cells of developing follicles that disrupt normal development to the antral follicles via suppression of E2 in granulosa cells of developing follicles during the menstrual cycle followed by reduction in the number of oocytes retrieved in in-vitro fertilization (IVF) patients. Several studies corroborate an inverse association between serum and/or urinary BPA concentration and the IVF outcome: Peak E2 levels and the number of oocytes retrieved. Upon oral ingestion, 99.5% of unconjugated parent BPA (free BPA) is metabolized to either BPA glucuronide (BPA-G) or BPA sulfate (BPA-S). The unconjugated BPA can bind to the estrogen receptors (ER) while conjugated BPA (biol. inactive BPA) do not bind the estrogen receptor (ER). The challenge is to assess the relationship between BPA exposure among infertile patients with respect to follicular response and health during IVF. The establishment of temporal sequence between BPA exposure and infertility would be the research question to answer: Which route is a better biomarker. The advantages of urine BPA collection would provide pragmatic advantages for clinicians in order to practice cost-effective medicine. However, unconjugated BPA measurement (compared to total BPA) introduces challenges in measurement accuracy since unconjugated BPA requires higher magnitude of limit of detection (LOD) with higher risk of contamination from the medical equipment. The difference in route of BPA assessment could introduce bias in the interpretation of results in terms of the association between BPA levels and the number of oocytes. Fujimoto et al. and Bloom et al. analyzed the relationship between serum BPA and IVF outcome in infertile women. It may sound hypothetically justified due to utilizing serum unconjugated BPA, this strategy is not successful in choosing a practical biomarker of BPA exposure due to toxicokinetic properties of BPA metabolism and excretion in humans.

Molecular & Cellular Toxicology published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C21H24O8, Synthetic Route of 267244-08-6.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics

Deceuninck, Y. published the artcileQuantitative method for conjugated metabolites of bisphenol A and bisphenol S determination in food of animal origin by Ultra High Performance Liquid Chromatography-Tandem Mass Spectrometry, SDS of cas: 267244-08-6, the publication is Journal of Chromatography A (2019), 232-242, database is CAplus and MEDLINE.

With the objectives of both generating bisphenols (BPs) conjugates occurrence data in food from animal origin but also investigating the origin of associated contamination, the present study deals with the development of an efficient anal. method aiming at monitoring both BPA and BPS conjugated metabolites in food from animal origin. The objective of such monitoring is to determine the origin of BPs contamination (FCM or animal contamination). The targeted compounds were BPA-monoglucuronide (BPA-1G), BPA-diglucuronide (BPA-2G), BPA-monosulfate (BPA-1S), BPA-disulfate (BPA-2S) and BPS-monoglucuronide (BPS-1G). The developed standard operating procedure includes a preliminary solid-liquid extraction step followed by two successive solid phase extraction (SPE) stages, using successively a non-polar phase and a strong cation exchange polymer. Quantification was achieved according to both the isotopic dilution and surrogated quantification methods, using ¹³C-BPA-1G and BPA-d₆-1S as internal standards Linearity was validated (R² > 0.99) for each mol. within the concentration range [0-10] μg kg^-1. Detection limits ranged from 0.02 μg kg^-1 (BPA-1G in muscle, BPA-1S and BPA-2G in liver) to 0.50 μg kg^-1 (BPA-2S in muscle). The strategy was then proven on liver samples collected from pregnant ewes s.c. exposed to BPA during 105 days, at 50 μg kg^-1 per day. BPA-1G, BPA-2G and BPA-1S were detected and quantified at a concentration of 3.81 μg kg^-1, 0.80 μg kg^-1 and 0.09 μg kg^-1, resp. The anal. method was finally implemented on fifty unpacked food samples from animal origin in which significant free BPA concentrations were previously measured. Since no metabolites of BPA could be measured (<LOD), it means that such free BPA present in the samples originates from direct contact of the food item with a material containing BPA.

Journal of Chromatography A published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C21H24O8, SDS of cas: 267244-08-6.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics

Ros, Oihana published the artcileSimultaneous enzymatic hydrolysis and extraction of endocrine-disrupting chemicals in fish bile using polyethersulfone polymer, Formula: C21H24O8, the publication is Analytical and Bioanalytical Chemistry (2015), 407(24), 7413-7423, database is CAplus and MEDLINE.

This study describes a new method for the simultaneous extraction and enzymic hydrolysis of alkylphenols, estrogens, bisphenol-A and phthalate metabolite (mono-2-ethylhexyl ester, MEHP) in fish bile using polyethersulfone (PES) polymer as sorptive material. Parameters affecting the hydrolysis (enzyme amount) and extraction (nature of polymeric material, PES desorption solvent nature and time, PES amount and time profile) were optimized. The optimum conditions were fixed as: 5 PES tubes (1.5 cm length × 0.7 mm o.d.) were added to a vessel with 100 μL of sample, 800 μL of ultrapure water, 1.5 mL phosphate buffer (0.1 mol L^-1, pH 6) and 200 μL of β-glucuronidase (1000 U mL^-1) enzyme and the mixture was stirred at 37 °C and 550 rpm for 3 h. Quant. results were obtained after desorption of PES material using 500 μL of Et acetate. The extracts were reconstituted in 250 μL of methanol and analyzed by liquid chromatog.-tandem mass spectrometry, obtaining apparent recoveries in the range of 73-134 % using deuterated compounds surrogates corrections. Relative standard deviations below 27 % were obtained for all target analytes and the method detection limits (MDLs) were in low nanograms per mL level for all the studied compounds, except in the case of MEHP which was detected at higher concentration levels (ng μL^-1) in bile samples that do not allow its MDL determination Bisphenol A (MDL-10.8 ng mL^-1), diethylstilbestrol (MDL-1.4 ng mL^-1) and MEHP (975-2604 ng mL^-1) were detected in gray mullets captured nearby the wastewater treatment plant of Gernika (Biosphere Reserve of Urdaibai).

Analytical and Bioanalytical Chemistry published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C21H24O8, Formula: C21H24O8.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics

Kurebayashi, Hideo published the artcileDisposition of a Low Dose of ¹⁴C-Bisphenol A in Male Rats and Its Main Biliary Excretion as BPA Glucuronide, Recommanded Product: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, the publication is Toxicological Sciences (2003), 73(1), 17-25, database is CAplus and MEDLINE.

Bisphenol A (BPA) is a weak xenoestrogen mass-produced with potential human exposure. The disposition of bisphenol A in male Fischer-344 (F344) rats dosed orally (100 or 0.10 mg/kg) or i.v. (0.10 mg/kg) was determined Smaller amounts of the dose appeared in the urine. The main excretion route was feces in rats irresp. of dose and administration route. The biliary excretion during 6 h was 58-66% after iv dosing and 45-50% after oral dosing at 0.10 mg ¹⁴C-BPA/kg. Toxicokinetic parameters obtained from ¹⁴C-BPA-derived radioactivity in blood were the terminal elimination half-life, t_1/2β = 39.5 h, and total body clearance, CL_tot = 0.52 l/h/kg after iv dosing of 0.10 mg ¹⁴C-BPA/kg to male rats. The blood concentration reached its maximum of 5.5 ng-eq/mL at 0.38 h after oral dose. AUC_(0-6 h), AUC_(0-48 h), and AUC_inf of ¹⁴C-BPA-derived radioactivity, were 34, 118, and 192 ng-eqh/mL for the iv dose and 18, 102, and 185 ng-eqh/mL for the oral dose, resp. The oral bioavailability of F_(0-6 h), F_(0-48 h), and F_inf were 0.54, 0.86, and 0.97, resp. The ¹⁴C-BPA-derived radioactivity was strongly bound to plasma protein (free fraction, fu = 0.046) and preferentially distributed to the plasma with a blood/plasma ratio of 0.67. From the bile of male rats orally dosed at 100 mg/kg, we have isolated and characterized BPA glucuronide (BPA-gluc) by ESI/MS, ¹H and ¹³C NMR spectroscopy. HPLC anal. showed that BPA-gluc was the predominant metabolite in bile and urine. Unchanged BPA was mostly detected in feces. These results suggest that BPA is mainly metabolized to BPA-gluc and excreted into feces through the bile and subject to enterohepatic circulation in rats irresp. of dose and administration route.

Toxicological Sciences published new progress about 267244-08-6. 267244-08-6 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Chiral,Carboxylic acid,Benzene,Phenol,Alcohol,Ether,, name is (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid, and the molecular formula is C21H24O8, Recommanded Product: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid.

Referemce:
https://en.wikipedia.org/wiki/Tetrahydropyran,
Tetrahydropyran – an overview | ScienceDirect Topics