Category: tetrahydropyran

Chen, Xiao-yang published the artcileStudy of anti-hypertensive mechanism of Morus alba & Flos Chrysanthemi based on network pharmacology and molecular docking, HPLC of Formula: 69097-99-0, the publication is Zhonghua Zhongyiyao Zazhi (2021), 36(10), 6069-6076, database is CAplus.

Objective: To study the potential mechanism of Morus alba & Flos Chrysanthemi in the treatment of hypertension based on network pharmacol., and preliminarily verify it by mol. docking technol. Methods: The effective components of Morus alba & Flos Chrysanthemi and the common targets with hypertension were obtained by network pharmacol., then GO and KEGG were enriched and analyzed by David database. The relevant results were verified by mol. simulation docking technol. Results: There were 29 active components in Folium Mori, 20 active components in Flos Chrysanthemi and 224 common target genes with hypertension. GO enrichment anal. found that Morus alba & Flos Chrysanthemi had multiple biol. functions such as enzyme binding, protein isomerization, steroid binding and transcription factor binding, and could affect multiple cellular components such as extracellular space, cytoplasm, membrane raft and cytoplasmic perinuclear region, so as to participate in drug metabolism hypoxia reaction, neg. regulation of apoptosis, lipopolysaccharide reaction, estradiol reaction and other biol. processes. KEGG enrichment anal. showed that the effective components of Morus alba & Flos Chrysanthemi could participate in tumor necrosis factor, PI3K-Akt, HIF-1 and other signal pathways, and the effective components such as artichoke were related to β1 adrenoceptor. The docking conformation of adrenoceptor β₂ was better than that of antihypertensive drug metoprolol. Conclusion: Multiple active ingredients of Morus alba & Flos Chrysanthemi has a network mechanism of multi-target and multi-channel synergistic effect on hypertension, and artichoke may be the potential mol. basis of lowering blood pressure.

Zhonghua Zhongyiyao Zazhi published new progress about 69097-99-0. 69097-99-0 belongs to tetrahydropyran, auxiliary class Other Aliphatic Heterocyclic,Benzene,Phenol,Ether,Inhibitor, name is 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one, and the molecular formula is C16H14O6, HPLC of Formula: 69097-99-0.

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

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

Grue-Sorensen, Gunnar published the artcileNew 1α,25-dihydroxy vitamin D₃ analogs with side chains attached to C-18: synthesis and biological activity, Safety of 2-((2-Methylbut-3-yn-2-yl)oxy)tetrahydro-2H-pyran, the publication is Bioorganic & Medicinal Chemistry (1998), 6(11), 2029-2039, database is CAplus and MEDLINE.

A new class of analogs of 1α,25-dihydroxy vitamin D₃ has been synthesized, in which the side chain (C-23 to C-27) has been removed and where new hydroxylated side chains have been attached to the C-18 Me group. These analogs, I [R = Me, Q = (CH₂)₃, (CH₂)₄, C₆H₄CH₂-3, CCCH₂, CH₂CCCH₂, CCCH₂CH₂; R = Et, Q = (CH₂)₃, C₆H₄CH₂-3, CCCH₂CH₂], show antiproliferative activity in U937 and HaCaT cells comparable to that of 1α,25-dihydroxy vitamin D₃. Lack of calcemic activity makes these analogs potentially useful in the treatment of proliferative diseases.

Bioorganic & Medicinal Chemistry published new progress about 27943-46-0. 27943-46-0 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Alkynyl,Ether, name is 2-((2-Methylbut-3-yn-2-yl)oxy)tetrahydro-2H-pyran, and the molecular formula is C10H16O2, Safety of 2-((2-Methylbut-3-yn-2-yl)oxy)tetrahydro-2H-pyran.

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

Weber, K. C. published the artcileSelection of quantum chemical descriptors by chemometric methods in the study of antioxidant activity of flavonoid compounds, Category: tetrahydropyran, the publication is International Journal of Quantum Chemistry (2005), 103(5), 731-737, database is CAplus.

In the present study, the aim was to select electronic properties responsible for free radical scavenging ability of a set of 25 flavonoid compounds employing chemometric methods. Electronic parameters were calculated using the AM1 semiempirical method, and chemometric methods (principal component anal., hierarchical cluster anal., and k-nearest neighbor) were used with the aim to build models able to find relationships between electronic features and the antioxidant activity presented by the compounds studied. According to these models, four electronic variables can be considered important to discriminate more and less antioxidant flavonoid compounds: polarizability (α), charge at carbon 3 (QC3), total charge at substituent 5 (QS5), and total charge at substituent 3′ (QS3′). The features found as being responsible for the antioxidant activity of the flavonoid compounds studied are consistent with previous results found in the literature. The results obtained can also bring improvements in the search for better antioxidant flavonoid compounds

International Journal of Quantum Chemistry published new progress about 69097-99-0. 69097-99-0 belongs to tetrahydropyran, auxiliary class Other Aliphatic Heterocyclic,Benzene,Phenol,Ether,Inhibitor, name is 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one, and the molecular formula is C7H8O3, Category: tetrahydropyran.

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

Weber, Karen C. published the artcileA partial least squares regression study with antioxidant flavonoid compounds, SDS of cas: 69097-99-0, the publication is Structural Chemistry (2006), 17(3), 307-313, database is CAplus.

The quant. structure-activity relationship of a set of 19 flavonoid compounds, e.g. flavone I, presenting antioxidant activity was studied by means of PLS (Partial Least Squares) regression. The optimization of the structures and calculation of electronic properties were done by using the semiempirical method AM1. A reliable model (r² = 0.806 and q² = 0.730) was obtained and from this model it was possible to consider some aspects of the structure of the flavonoid compounds studied that are related with their free radical scavenging ability. The quality of the PLS model obtained in this work indicates that it can be used in order to design new flavonoid compounds that present ability to scavenge free radicals.

Structural Chemistry published new progress about 69097-99-0. 69097-99-0 belongs to tetrahydropyran, auxiliary class Other Aliphatic Heterocyclic,Benzene,Phenol,Ether,Inhibitor, name is 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one, and the molecular formula is C11H8N2O2, SDS of cas: 69097-99-0.

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

Weber, Karen C. published the artcileThe use of classification methods for modeling the antioxidant activity of flavonoid compounds, Synthetic Route of 69097-99-0, the publication is Journal of Molecular Modeling (2006), 12(6), 915-920, database is CAplus and MEDLINE.

A study using two classification methods (SDA and SIMCA) was carried out in this work with the aim of investigating the relationship between the structure of flavonoid compounds and their free-radical-scavenging ability. In this work, we report the use of chemometric methods (SDA and SIMCA) able to select the most relevant variables (steric, electronic, and topol.) responsible for this ability. The results obtained with the SDA and SIMCA methods agree perfectly with our previous model, in which we used other chemometric methods (PCA, HCA and KNN) and are also corroborated with exptl. results from the literature. This is a strong indication of how reliable the selection of variables is.

Journal of Molecular Modeling published new progress about 69097-99-0. 69097-99-0 belongs to tetrahydropyran, auxiliary class Other Aliphatic Heterocyclic,Benzene,Phenol,Ether,Inhibitor, name is 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one, and the molecular formula is C7H13ClNNaO5S, Synthetic Route of 69097-99-0.

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

Galbraith, M. N. published the artcileInsect molting hormones. Synthesis and biological activity of 2,25-dideoxy-α-ecdysone and deoxyecdysone, HPLC of Formula: 27943-46-0, the publication is Experientia (1975), 31(8), 873, database is CAplus and MEDLINE.

Pregnenecarboxaldehyde I, obtained from ergosteryl acetate, was alkylated with Me2CHCCH, and then hydrolyzed to 3β,22(R)-dihydroxy-5β-cholest-7-en-23-yn-6-one (II). Hydrogenation of II over Pt gave 2,25-dideoxy-α-ecdysone (III). Alkylation of I with 3-methyl-3-(tetrahydropyranyloxy)-1-butyne followed by hydrolysis and hydrogenation gave 2-deoxy-α-ecdysone (IV). IV showed the same activity as β-ecdysone in the Calliphora biossay, whereas III had only half that of β-ecdysone.

Experientia published new progress about 27943-46-0. 27943-46-0 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Alkynyl,Ether, name is 2-((2-Methylbut-3-yn-2-yl)oxy)tetrahydro-2H-pyran, and the molecular formula is C10H16O2, HPLC of Formula: 27943-46-0.

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

Yu, Bo published the artcileNetwork pharmacology-based identification for therapeutic mechanisms of Dangguikushen pill in acne vulgaris, Application In Synthesis of 69097-99-0, the publication is Dermatologic Therapy (2020), 33(6), e14061, database is CAplus and MEDLINE.

The Dangguikushen (DGKS) pill is a proprietary traditional Chinese medicine that has shown superior efficacy in the treatment of acne vulgaris for many years. A network pharmacol.-based anal. was performed to explore the potential anti-acne compounds, core therapeutic targets, and the main pathways, involved in the DGKS pill bioactivity. The matching results between the predicted targets of the DGKS pill and the well-known targets of acne vulgaris were collected, followed by network establishment using protein-protein interaction (PPI) data. Cytoscape was utilized to analyze the network and screen the core targets. Furthermore, the Database for Annotation, Visualization and Integrated Discovery (DAVID), and ClueGO were used for the enrichment anal. of the Kyoto Encyclopedia of Genes and Genomics (KEGG) pathways and Gene Ontol. biol. processes (GO-BP). Finally, the “compound-target-pathway” network was constructed. This approach identified 19 active compounds, 46 therapeutic targets, and 12 core therapeutic targets of the DGKS pill. The biol. processes were primarily related to reactive oxygen species (ROS) metabolic process, gland morphogenesis, and female gonad development. The DGKS pill was significantly associated with eight pathways including the PI3K-Akt, TNF, NF-kappa B, and p53 signaling pathways. DGKS pill might have a synergistic effect on the inhibition of excessive sebaceous lipogenesis and sebocyte differentiation, and likewise, anti-inflammatory effects via the different signaling pathways (PI3K-Akt, TNF, NF-kappa B, and p53).

Dermatologic Therapy published new progress about 69097-99-0. 69097-99-0 belongs to tetrahydropyran, auxiliary class Other Aliphatic Heterocyclic,Benzene,Phenol,Ether,Inhibitor, name is 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one, and the molecular formula is C17H37NO3, Application In Synthesis of 69097-99-0.

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

Franck-Neumann, M. published the artcileTotal stereospecific synthesis of cis-chrysanthemic methyl ester: the cyclopropenic way, Synthetic Route of 27943-46-0, the publication is Tetrahedron Letters (1980), 21(7), 671-4, database is CAplus.

The title Me ester I (R = R¹ = H) was prepared in 3 steps in 68% yield from Me₂C:CHCCCO₂Me (II). II, prepared (71%) from HOCMe₂CH₂CCH in 2 steps, underwent cycloaddition with Me₂CN:NH at 0° to give 26% pyrazole III (R = CO₂Me, R¹ = CH:CMe₂) and 63% III (R = CH:CMe₂, R¹ = CO₂Me). UV irradiation of the pyrazoles gave the cyclopropene I (RR¹ = bond), which underwent selective cis hydrogenation with KO₂CN:NCO₂K in AcOH to give 90% Me ester I (R = R¹ = H).

Tetrahedron Letters published new progress about 27943-46-0. 27943-46-0 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Alkynyl,Ether, name is 2-((2-Methylbut-3-yn-2-yl)oxy)tetrahydro-2H-pyran, and the molecular formula is C10H16O2, Synthetic Route of 27943-46-0.

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

Kammerer-Pentier, Claire published the artcileDual reactivity of O-α-allenyl esters under palladium(0) catalysis: From carbopalladation/allylic alkylation domino sequence to decarboxylative allenylation, SDS of cas: 27943-46-0, the publication is Journal of Organometallic Chemistry (2012), 53-59, database is CAplus.

In a mechanistically-oriented study, O-α-allenyl esters have been evaluated as potential substrates for Pd-catalyzed carbopalladation/allylic alkylation domino sequences and decarboxylative allenylation reactions. The domino sequence turned out to be feasible only with electron-deficient aryl iodides, thereby showing a narrower potential than that previously observed with the malonamide-based series. The decarboxylative allenylation of O-α-allenyl esters was also tested and turned out to be practicable with β-ketoester-based substrates and using specific basic conditions. Plausible reaction mechanisms are proposed to account for the observed reactivities.

Journal of Organometallic Chemistry published new progress about 27943-46-0. 27943-46-0 belongs to tetrahydropyran, auxiliary class Tetrahydropyran,Alkynyl,Ether, name is 2-((2-Methylbut-3-yn-2-yl)oxy)tetrahydro-2H-pyran, and the molecular formula is C10H16O2, SDS of cas: 27943-46-0.

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