title: Synthesis, spectroscopic and theoretical studies of new quasi-podands from bile acid derivatives linked by 1,2,3-triazole rings.
abstract: A novel method for the synthesis of bile acid derivatives has been developed using "click chemistry". Intermolecular 1,3-dipolar cycloaddition of the propargyl ester of bile acids and azide groups of 1,3,5-tris(azidomethyl)benzene gave a new quasi-podands with 1,2,3-triazole rings. The structures of the products were confirmed by spectral (1H-NMR, 13C-NMR, and FT-IR) analysis, mass spectrometry and PM5 semiempirical methods. Estimation of the pharmacotherapeutic potential has been accomplished for synthesized compounds on the basis of Prediction of Activity Spectra for Substances (PASS).
authors.affiliation: Laboratory of Microbiocide Chemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, Poznań 60-780, Poland. tposp@amu.edu.pl.
authors.forename: Tomasz
authors.initials: T
authors.lastname: Pospieszny
authors.affiliation: Laboratory of Microbiocide Chemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, Poznań 60-780, Poland. koenig@amu.edu.pl.
authors.forename: Hanna
authors.initials: H
authors.lastname: Koenig
authors.affiliation: Laboratory of Microbiocide Chemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, Poznań 60-780, Poland. iwkow@amu.edu.pl.
authors.forename: Iwona
authors.initials: I
authors.lastname: Kowalczyk
authors.affiliation: Laboratory of Microbiocide Chemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, Poznań 60-780, Poland. brycki@amu.edu.pl.
authors.forename: Bogumił
authors.initials: B
authors.lastname: Brycki
mesh_terms: D001386:Azides / Q000737:chemistry*; D001647:Bile Acids and Salts / Q000138:chemical synthesis / Q000737:chemistry*; D057930:Click Chemistry; D013058:Mass Spectrometry; D008962:Models, Theoretical; D014230:Triazoles / Q000138:chemical synthesis / Q000737:chemistry*
chemical_list: D001386:Azides; D001647:Bile Acids and Salts; D014230:Triazoles