Molecules 2014-01-01

Synthesis, spectroscopic and theoretical studies of new dimeric quaternary alkylammonium conjugates of sterols.

Bogumił Brycki, Hanna Koenig, Iwona Kowalczyk, Tomasz Pospieszny

文献索引：Molecules 19(7) , 9419-34, (2014)

全文：HTML全文

摘要

New dimeric quaternary alkylammonium conjugates of sterols were obtained by two step reactions of ergosterol, cholesterol and cholestanol with bromoacetic acid bromide, followed by bimolecular nucleophilic substitution with N,N,N',N'-tetramethyl-1,3-propanediamine, N,N,N',N'',N''-pentamethyldiethylenetriamine and 3,3'-iminobis- (N,N-dimethylpropylamine). The product structures were confirmed by spectral (1H-NMR, 13C-NMR, FT-IR) analysis, mass spectrometry (ESI-MS) and PM5 semiempirical methods. Additionally in silico studies have been conducted for the synthesized compounds on the basis of Prediction of Activity Spectra for Substances (PASS).