Synthesis, Physicochemical Properties, Drug Likeness, and Antitumor Activity of 2-[5-(4-Bromobenzylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic Acid Esters and Amides

RUSSIAN JOURNAL OF ORGANIC CHEMISTRY(2021)

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摘要
2-[5-(4-Bromobenzylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoyl chloride was reacted with ethanol and amines to obtain the corresponding ester and amides, and their physicochemical properties and drug likeness were predicted in silico. The synthesized compounds were evaluated for their in vitro antitumor activity and were found to exhibit a moderate activity against most human cancer cell lines. The most sensitive cancer cell line was CCRF-CEM leukemia with respect to 2-[(5 Z )-5-(4-bromobenzylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]- N -[2-hydroxy-2-(4-hydroxyphenyl)ethyl]- N ,3-dimethylbutanamide.
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关键词
4-oxo-2-sulfanylidene-1,3-thiazolidine, amide, drug likeness, antitumor activity
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