Abstract

New quaternary alkylammonium conjugates of steroids were obtained by two step reaction of methyl esters of bile acids with bromoacetic acid bromide, followed by bimolecular nucleophilic substitution with a long chain tertiary alkylamine. The structures of products were conrmed by spectroscopic (¹H-NMR, ¹³C-NMR, and FT-IR) analysis, mass spectrometry (ESI-MS) as well as PM5 semiempirical methods. The biological activity of the synthesized compounds has been estimated on the basis of Prediction of Activity Spectra for Substances (PASS).

Keywords: Bile acids, PM5 calculations, quaternary alkylammonium salts, spectral analysis, tertiary alkylamine.

Graphical Abstract