Synthesis, Spectroscopic and Semiempirical Studies of New Quaternary Alkylammonium Conjugates of Sterols

被引：6

作者：

Brycki, Bogumil ^{[1
]}

Koenig, Hanna ^{[1
]}

Kowalczyk, Iwona ^{[1
]}

Pospieszny, Tomasz ^{[1
]}

机构：

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

来源：

MOLECULES | 2013年 / 18卷 / 12期

关键词：

sterols; quaternary alkylammonium salt; conjugates; Prediction of Activity Spectra for Substances; PM5; calculations; BIOLOGICAL-ACTIVITY SPECTRA; BETA-KETO-ESTERS; IONIC LIQUIDS; PYRROLIDINIUM SALTS; CHOLIC-ACID; AMMONIUM; DERIVATIVES; OPTIMIZATION; PARAMETERS; SETS;

D O I：

10.3390/molecules181214961

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：

New quaternary alkylammonium conjugates of steroids were obtained by two step reaction of sterols (ergosterol, cholesterol, dihydrocholesterol) with bromoacetic acid bromide, followed by bimolecular nucleophilic substitution with a long chain tertiary alkylamine. The structures of products were confirmed by spectral (H-1-NMR, C-13-NMR, and FT-IR) analysis, mass spectrometry and PM5 semiempirical methods. The pharmacotherapeutic potential of synthesized compounds has been estimated on the basis of Prediction of Activity Spectra for Substances (PASS).

引用

页码：14961 / 14976

页数：16

共 47 条

[1] Design, synthesis, and micellar properties of bile acid dimers and oligomers linked with a 1,2,3-triazole ring [J].