title: Novel acetamidothiazole derivatives: synthesis and in vitro anticancer evaluation.
abstract: A novel series of acetamide derivatives possessing both 2-imino-4-arylthiazoles and morpholine or different piperazines were synthesized and characterized by IR, (1)H NMR, (13)C NMR, elemental and mass spectral analyses. Twelve compounds were granted NSC codes at National Cancer Institute (NCI), USA for anticancer activity at a single high dose (10(-5) M) in full NCI 60 cell panel. Among the compounds tested, compounds 5a and 6b were found to be the most active candidates of the synthesized series. Assessment of toxicities, druglikeness, and drug score profiles of compounds 5a and 6b are promising. Some of the synthesized compounds showed a good docking score with potential anticancer targets, chosen based on pharmacophore mapping of the established derivatives.
authors.affiliation: Department of Medicinal Chemistry, Faculty of Pharmacy, University of Mansoura, Mansoura 35516, Egypt. Electronic address: ahmed_reda551988@yahoo.com.
authors.forename: Ahmed R
authors.initials: AR
authors.lastname: Ali
authors.forename: Eman R
authors.initials: ER
authors.lastname: El-Bendary
authors.forename: Mariam A
authors.initials: MA
authors.lastname: Ghaly
authors.forename: Ihsan A
authors.initials: IA
authors.lastname: Shehata
mesh_terms: D000081:Acetamides / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects; D004305:Dose-Response Relationship, Drug; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D008958:Models, Molecular; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D013844:Thiazoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000081:Acetamides; D000970:Antineoplastic Agents; D013844:Thiazoles
keywords: ARLHWYFAPHJCJT-UHFFFAOYSA-N; AXKCLMARXPEYOI-UHFFFAOYSA-N; Acetamidomorpholine; Acetamidopiperazine; Aminothiazole; Anticancer evaluation; BPAPVVZKFSFVIH-UHFFFAOYSA-N; DWGWNNCHJPKZNC-UHFFFAOYSA-N; FFEHZWWAKZFKGK-UHFFFAOYSA-N; FLAYZKKEOIAALB-UHFFFAOYSA-N; IHOGKRIRHORAHV-UHFFFAOYSA-N; ISGVIWPJZIQAJO-UHFFFAOYSA-N; KRVGXFREOJHJAX-UHFFFAOYSA-N; LIGACIXOYTUXAW-UHFFFAOYSA-N; MXCHJXBXBFDTNS-UHFFFAOYSA-N; OZSGMUVOGHBQRB-UHFFFAOYSA-N; PIDHTUREIXPEFO-UHFFFAOYSA-N; PSIGTNFUAOZMOF-UHFFFAOYSA-N; PYSJLPAOBIGQPK-UHFFFAOYSA-N; QPNYSIWOKUFJDJ-UHFFFAOYSA-N; RQQMXJAICONEOE-UHFFFAOYSA-N; RVXLBYMWQICVBU-UHFFFAOYSA-N; UJTCLCSSFRMSEH-UHFFFAOYSA-N; XYYGTTPKVXBPPI-UHFFFAOYSA-N; ZIFWCHUSQIPOCD-UHFFFAOYSA-N