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
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