title: Synthesis, spectroscopic and semiempirical studies of new quaternary alkylammonium conjugates of sterols.
abstract: 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 (1H-NMR, 13C-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).
authors: Laboratory of Microbiocide Chemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, Poznań 60-780, Poland. brycki@amu.edu.pl.
authors: Bogumił
authors: B
authors: Brycki
authors: Hanna
authors: H
authors: Koenig
authors: Iwona
authors: I
authors: Kowalczyk
authors: Tomasz
authors: T
authors: Pospieszny
mesh_terms: D020650:Combinatorial Chemistry Techniques; D007810:Lanosterol; D013058:Mass Spectrometry; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular; D000644:Quaternary Ammonium Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013261:Sterols / Q000737:chemistry*
chemical_list: D000644:Quaternary Ammonium Compounds; D013261:Sterols; D007810:Lanosterol