30762-00-6Relevant articles and documents
Design, synthesis, and biological studies of novel 3-benzamidobenzoic acid derivatives as farnesoid X receptor partial agonist
Hu, Lijun,Ren, Qiang,Deng, Liming,Zhou, Zongtao,Cai, Zongyu,Wang, Bin,Li, Zheng
supporting information, (2020/12/25)
Farnesoid X receptor (FXR), a bile acid-activated nuclear receptor, regulates the metabolism of bile acid and lipids as well as maintains the stability of internal environment. FXR was considered as a therapeutic target of liver disorders, such as drug-induced liver injury, fatty liver and cholestasis. The previous reported FXR partial agonist 6 was a suitable lead compound in terms of its high potent and low molecular size, while the docking study of compound 6 suggested a large unoccupied hydrophobic pocket, which might be provided more possibility of structure-activity relationship (SAR) study. In this study, we have performed comprehensive SAR and molecular modeling studies based on lead compound 6. All of these efforts resulted in the identification of a novel series of FXR partial agonists. In this series, compound 41 revealed the best activity and strong interaction with binding pocket of FXR. Moreover, compound 41 protected mice against acetaminophen-induced hepatotoxicity by the regulation of FXR-related gene expression and improving antioxidant capacity. In summary, these results suggest that compound 41 is a promising FXR partial agonist suitable for further investigation.
Synthetic method of Pimavanserin
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Paragraph 0006; 0034; 0039-0040; 0051; 0056-0057; 0068, (2019/09/14)
The invention belongs to the field of medicine synthesis, and especially relates to a synthetic method of Pimavanserin. According to the synthetic method, 4-hydroxy benzoic acid is taken as a raw material, esterification reaction, alkylation reaction, hydrolysis, acylation reaction, dehydration reduction, and acylation reaction are carried out to obtain an intermediate (9); fluorobenzylamine and N-methyl-4-piperidone are taken as raw materials for reductive amination to obtain intermediate (10); and at last the intermediate (9) and the intermediate (10) are subjected to aminolysis to obtain finished product Pimavanserin. The initial raw materials are cheap and easily available; reaction conditions are mild; no column chromatography is needed; and the yield is relatively high.
Thermodynamic properties of isomeric iso-butoxybenzoic acids: Experimental and theoretical study
Jakubczyk, Micha?,Sporzyński, Andrzej,Emel'yanenko, Vladimir N.,Varfolomeev, Mikhail A.,Verevkin, Sergey P.
, p. 88 - 97 (2015/08/25)
Standard (p° = 0.1 MPa) molar enthalpies of formation at the temperature T = 298.15 K of the 2-, 3-, and 4-iso-butoxybenzoic acids were measured using the combustion calorimetry. Standard molar enthalpies of vaporization and sublimation were derived from
