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4‐Methyl morpholinium bis‐(thio)barbiturates: Synthesis, structure, anticancer evaluation, and CoMFA study
Author(s) -
Noroozi Pesyan Nader,
Rashidnejad Hamid,
Esmaeili Mohammad Ali,
Safari Elnaz,
Tunç Tuncay,
Alilou Mostafa,
SafaviSohi Reihaneh,
Şahin Ertan
Publication year - 2020
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.202000057
Subject(s) - chemistry , thio , hela , morpholine , stereochemistry , intramolecular force , chalcone , intermolecular force , barbituric acid , medicinal chemistry , organic chemistry , molecule , in vitro , biochemistry
The reaction of symmetrical (thio)barbituric acids with aldehydes in the presence of 4‐methyl morpholine yielded a new form of 4‐methyl morpholinium bis‐(thio)barbiturate containing charge‐separated intermolecular and eight‐membered intramolecular H ‐bonds. X‐ray Crystallography, FT‐IR, and 1 H and 13 C‐NMR spectroscopy techniques were used for structure characterizations. Some of these compounds showed potent anticancer activities. Cytotoxicity of the synthetic compounds against HeLa and MCF‐7 cell lines were performed by MTT assay. In addition, a comparative molecular field analysis was carried out, and the effects of substituents on the biological activities of these compounds were explained.