Synthesis, Spectroscopic and Theoretical Studies of New Quasi-Podands from Bile Acid Derivatives Linked by 1,2,3-Triazole Rings

被引：18

作者：

Pospieszny, Tomasz ^{[1
]}

Koenig, Hanna ^{[1
]}

Kowalczyk, Iwona ^{[1
]}

Brycki, Bogumil ^{[1
]}

机构：

[1] Adam Mickiewicz Univ, Fac Chem, Lab Microbiocide Chem, PL-60780 Poznan, Poland

来源：

MOLECULES | 2014年 / 19卷 / 02期

关键词：

bile acids; podands; click chemistry; 1,2,3-triazole ring; PM5; calculations; BIOLOGICAL-ACTIVITY SPECTRA; CLICK CHEMISTRY; CHOLYLGLYCINE HYDROLASE; SEMIEMPIRICAL METHODS; MOLECULAR POCKETS; BUILDING-BLOCKS; CHOLIC-ACID; CYCLOADDITION; DIMERS; OPTIMIZATION;

D O I：

10.3390/molecules19022557

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A novel method for the synthesis of bile acid derivatives has been developed using "click chemistry". Intermolecular 1,3-dipolar cycloaddition of the propargyl ester of bile acids and azide groups of 1,3,5-tris(azidomethyl) benzene gave a new quasi-podands with 1,2,3-triazole rings. The structures of the products were confirmed by spectral (H-1-NMR, C-13-NMR, and FT-IR) analysis, mass spectrometry and PM5 semiempirical methods. Estimation of the pharmacotherapeutic potential has been accomplished for synthesized compounds on the basis of Prediction of Activity Spectra for Substances (PASS).

引用

页码：2557 / 2570

页数：14

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