取代苯基亚甲基环戊酮衍生物的设计、合成与抗肿瘤活性

目的 设计并合成一系列取代苯基亚甲基环戊酮衍生物，对它们的体外抗肿瘤活性进行初步筛选并探讨其构效关系。方法 使用化学方法对目标化合物进行合成，采用MTT法测定目标化合物的体外抗肿瘤活性，利用CoMFA法讨论构效关系。结果与结论 合成了23个目标化合物，其中22个未见文献报道，目标化合物的结构经元素分析、¹H-NMR和MS谱确认。体外抗肿瘤活性初筛结果显示，化合物Ⅰa和Ⅰb对Bel-7402、HCT-8、A-549 肿瘤细胞均表现出较高的细胞毒性，化合物Ⅱg对Bel-7402和HCT-8呈现选择性抑制，但对A-549无抑制作用，化合物 Ⅲa~Ⅲf 对3种肿瘤细胞均无明显抑制作用。CoMFA 结果显示，5位芳基胺甲基结构中，胺基的对位含有空间位阻较小和吸电子基团时将有助于提高化合物的活性，而胺基的邻位和间位连有空间位阻较大和供电子基团将会增强化合物的活性。

Design,synthesis and antitumor activity of substituted benzylidenecyclopentanone derivatives

Aim To design and synthesize a serial of substituted benzylidenecyclopentanone derivatives,and to determine their antitumor activities in vitro in order to discuss their structure-activity relationships.Methods The target compounds were designed and synthesized.Their antitumor activity was assayed using MTT assay in vitro.The 3D-QSAR of target compounds was studied by CoMFA.Results and conclusion Twenty-three compounds were synthesized and their chemical structures were confirmed by elemental analysis,1H-NM...