State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, People's Republic of China.
Bioorg Med Chem Lett. 2011 Sep 15;21(18):5374-7. doi: 10.1016/j.bmcl.2011.07.010. Epub 2011 Jul 14.
Fourty-two thiazolyl-pyrazoline derivatives were synthesized to screen for their EGFR kinase inhibitory activity. Compound 4-(4-chlorophenyl)-2-(3-(3,4-dimethylphenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)thiazole (11) displayed the most potent EGFR TK inhibitory activity with IC(50) of 0.06 μM, which was comparable to the positive control. Molecular docking results indicated that compound 11 was nicely bound to the EGFR kinase. Compound 11 also showed significant antiproliferative activity against MCF-7 with IC(50) of 0.07 μM, which would be a potential anticancer agent.
合成了 42 种噻唑并吡唑啉衍生物，以筛选其 EGFR 激酶抑制活性。化合物 4-(4-氯苯基)-2-(3-(3,4-二甲基苯基)-5-对甲苯基-4,5-二氢-1H-吡唑-1-基)噻唑（11）显示出最有效的 EGFR TK 抑制活性，IC50 为 0.06 μM，与阳性对照相当。分子对接结果表明，化合物 11 与 EGFR 激酶结合良好。化合物 11 对 MCF-7 也表现出显著的抗增殖活性，IC50 为 0.07 μM，可能是一种潜在的抗癌药物。
