title: Synthesis, antitumor activity and QSAR studies of some 4-aminomethylidene derivatives of edaravone.
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.
authors.affiliation: Faculty of Sciences, Department of Chemistry, University of Kragujevac, R. Domanovica 12, Kragujevac, Serbia.
authors.forename: Violeta
authors.initials: V
authors.lastname: Marković
authors.forename: Slavica
authors.initials: S
authors.lastname: Erić
authors.forename: Zorica D
authors.initials: ZD
authors.lastname: Juranić
authors.forename: Tatjana
authors.initials: T
authors.lastname: Stanojković
authors.forename: Ljubinka
authors.initials: L
authors.lastname: Joksović
authors.forename: Branislav
authors.initials: B
authors.lastname: Ranković
authors.forename: Marijana
authors.initials: M
authors.lastname: Kosanić
authors.forename: Milan D
authors.initials: MD
authors.lastname: Joksović
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology*; D000983:Antipyrine / Q000031:analogs & derivatives* / Q000737:chemistry / Q000494:pharmacology; D001943:Breast Neoplasms / Q000188:drug therapy*; D045744:Cell Line, Tumor; D004354:Drug Screening Assays, Antitumor; D000077553:Edaravone; D005260:Female; D016166:Free Radical Scavengers / Q000737:chemistry / Q000494:pharmacology; D006801:Humans; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D016166:Free Radical Scavengers; D000077553:Edaravone; D000983:Antipyrine