Diao, Peng-Cheng published the artcileDiscovery of novel pyrimidine-based benzothiazole derivatives as potent cyclin-dependent kinase 2 inhibitors with anticancer activity, Formula: C7H7ClN2S, the publication is European Journal of Medicinal Chemistry (2019), 196-207, database is CAplus and MEDLINE.
To develop novel CDK2 inhibitors as anticancer agents, a series of novel pyrimidine-based benzothiazole derivatives I (R = 4-(S(O)2NH2), 4-(piperidin-1-yl), 3-F, etc.) and II (R1 = H, F, Cl, Me, MeO; R2 = H, Me, F; R3 = Me, NH2) was designed and synthesized. Initial biol. evaluation demonstrated that some of target compounds displayed potent antitumor activity in vitro against five cancer cell lines. Especially, the analog II (R1 = F; R2 = H; R3 = NH2) exhibited approx. potency with AZD5438 toward four cells including HeLa, HCT116, PC-3, and MDA-MB-231 with IC50 values of 0.45, 0.70, 0.92, 1.80 μM, resp. More interestingly, the most highly active compound II (R1 = F; R2 = H; R3 = NH2) in this study also possessed promising CDK2/cyclin A2 inhibitory activities with IC50 values of 15.4 nM, which was almost 3-fold potent than pos. control AZD5438, and mol. docking studies revealed that the analog bound efficiently with the CDK2 binding site. Further studies indicated that compound II (R1 = F; R2 = H; R3 = NH2) could induce cell cycle arrest and apoptosis in a concentration-dependent manner. These observations suggest that pyrimidine-benzothiazole hybrids represent a new class of CDK2 inhibitors and well worth further investigation aiming to generate potential anticancer agents.
European Journal of Medicinal Chemistry published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Formula: C7H7ClN2S.
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