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.
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.
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