Wei, Xiaoyi’s team published research in Frontiers in Pharmacology in 12 | CAS: 69097-99-0

Frontiers in Pharmacology 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 C20H19NO4, HPLC of Formula: 69097-99-0.

Wei, Xiaoyi published the artcileNetwork pharmacology-based analysis on the potential biological mechanisms of Sinisan against non-alcoholic fatty liver disease, HPLC of Formula: 69097-99-0, the publication is Frontiers in Pharmacology (2021), 693701, database is CAplus and MEDLINE.

Non-alc. fatty liver disease (NAFLD) has become the most prevalent liver disease in China. Sinisan (SNS) is a traditional Chinese medicine formula that has been widely used in treating chronic liver diseases, including NAFLD. However, its underlying biol. mechanisms are still unclear. In this study, we employed a network pharmacol. approach consisting of overlapped terms- (genes or pathway terms-) based anal., protein-protein interaction (PPI) network-based anal., and PPI clusters identification. Unlike the previous network pharmacol. study, we used the shortest path length-based network proximity algorithm to evaluate the efficacy of SNS against NAFLD. And we also used random walk with restart (RWR) algorithm and Community Cluster (Glay) algorithm to identify important targets and clusters. The screening results showed that the mean shortest path length between genes of SNS and NAFLD was significantly smaller than degree-matched random ones. Six PPI clusters were identified and ten hub targets were obtained, including STAT3, CTNNB1, MAPK1, MAPK3, AGT, NQO1, TOP2A, FDFT1, ALDH4A1, and KCNH2. The exptl. study indicated that SNS reduced hyperlipidemia, liver steatosis, and inflammation. Most importantly, JAK2/STAT3 signal was inhibited by SNS treatment and was recognized as the most important signal considering the network pharmacol. part. This study provides a systems perspective to study the relationship between Chinese medicines and diseases and helps to discover potential mechanisms by which SNS ameliorates NAFLD.

Frontiers in Pharmacology 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 C20H19NO4, HPLC of Formula: 69097-99-0.

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

Galbraith, M. N.’s team published research in Experientia in 31 | CAS: 27943-46-0

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.

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

Weber, Karen C.’s team published research in Journal of Molecular Modeling in 12 | CAS: 69097-99-0

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.

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

Weber, Karen C.’s team published research in Structural Chemistry in 17 | CAS: 69097-99-0

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.

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, K. C.’s team published research in International Journal of Quantum Chemistry in 103 | CAS: 69097-99-0

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.

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

Grue-Sorensen, Gunnar’s team published research in Bioorganic & Medicinal Chemistry in 6 | CAS: 27943-46-0

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.

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

Yang, J. J.’s team published research in Analytica Chimica Acta in 1100 | CAS: 267244-08-6

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.

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

Chen, Xiao-yang’s team published research in Zhonghua Zhongyiyao Zazhi in 36 | CAS: 69097-99-0

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.

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

Marin, L.’s team published research in Organic Chemistry Frontiers in 5 | CAS: 27943-46-0

Organic Chemistry Frontiers 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, Formula: C10H16O2.

Marin, L. published the artcileA diversity-oriented synthesis of cyclopenta[b]pyrroles and related compounds through a calcium(II)/copper(II) catalytic sequence, Formula: C10H16O2, the publication is Organic Chemistry Frontiers (2018), 5(4), 640-647, database is CAplus.

A sequential bicatalytic route to provide a versatile access to a wide range of synthetically useful nitrogen-containing heterocycles in a single pot from furan and aniline derivatives is reported. This transformation relies on an aza-Piancatelli/hydroamination sequence promoted by common calcium(II) and copper(II) salts. Depending on the substitution pattern of the precursors as well as the solvent employed, this method enables the preparation of biol. relevant mols. such as cyclopenta[b]pyrroles, pyrrolo[1,2-a]quinoxalines and also a novel class of cyclopenta[b]pyrrolines. Moreover, the first atropodiastereoselective synthesis of N-aryl cyclopenta[b]pyrroles is described.

Organic Chemistry Frontiers 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, Formula: C10H16O2.

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

Qian, Xu-Xuan-Hong’s team published research in TMR Pharmacology Research in 1 | CAS: 69097-99-0

TMR Pharmacology Research 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, Application In Synthesis of 69097-99-0.

Qian, Xu-Xuan-Hong published the artcileExploration on antibacterial mechanism of Xiangsu Powder based on network pharmacology, Application In Synthesis of 69097-99-0, the publication is TMR Pharmacology Research (2021), 1(2), 11, database is CAplus.

To explore the antibacterial mechanism of the active components of Xiangsu powder through the network pharmacol. approach. TCMSP database was used to search and obtain the active components of Xiangsu powder and its corresponding action targets, and its network relationship was defined. Target points associated with antibacterial effect were searched in Genecards database, and core target genes of antibacterial effect were obtained by mapping the target points. Finally, the GO biol. process and KEGG metabolic pathway were analyzed in the DAVID database. There were 129 active components, 250 targets, and 66 biol. processes (40 biol. processes, 13 mol. functions, 13 cell compositions) and 35 related signaling pathways. Among them, quercetin may be the main substance that plays a role in the drugs contained in Xiangsu powder, followed by flavonol kaempferol and flavonoid luteolin. Antibacterial targets such as TNF, Casp3, PTGS2, ACTB, STAT1 and NFKB1 are mostly involved in antiviral, anti-inflammatory and immune pathways. It mainly plays a role in the hepatitis B pathway and tumor necrosis factor signaling pathway. Quercetin, kaempferol, luteolin and other active components in Xiangsu powder can participate in the action process of Toll-like receptor pathway, TNF signaling pathway and other pathways through acting on TNF, Casp3, PTGS2, etc., and finally achieve the purpose of antibacterial.

TMR Pharmacology Research 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, Application In Synthesis of 69097-99-0.

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