Article ID Journal Published Year Pages File Type
1355223 Bioorganic Chemistry 2011 10 Pages PDF
Abstract

A series of aminomethylidene derivatives obtained from 4-formyledaravone were synthesized and characterized by IR, NMR and elemental analysis. All the compounds were screened for their antitumor activity. The compound containing 5-phenylpyrazole moiety (3q) exhibited remarkable antitumor activity in in vitro assays, especially against human breast cancer MDA-MB-361 and MDA-MB-453 cell lines. The most important whole-molecule descriptors for antitumor activity on MDA-MB-453 cells belong to the group of quantum-chemical descriptors.

Graphical abstractAminomethylidene derivatives obtained from 4-formyledaravone and primary amines were synthesized and tested for their antitumor activity. The compound containing 5-phenylpyrazole moiety was found to be the most active against human breast cancer MDA-MB-361 and MDA-MB-453 cell lines.Figure optionsDownload full-size imageDownload as PowerPoint slideResearch highlights► In this work we synthesized seventeen aminomethylidene derivatives of 4-formyledaravone and investigated their antitumor activity. ► The compound containing 5-phenylpyrazole moiety is the most efficient 4-aminomethylidene derivative of edaravone against human breast cancer MDA-MB-361 and MDA-MB-453 cells. ► The most important fragmental descriptors for antitumor activity on MDA-MB-453 include the groups of quantum-chemical, topological and constitutional descriptors.

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Physical Sciences and Engineering Chemistry Organic Chemistry
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