两个有机锡杂环羧酸酯配合物的合成、结构及抗癌活性  

Synthesis,Structure,and Anticancer Activity of Two Organotin Heterocyclic Carboxylates Complexes

作　　者：周玉林 张复兴 朱小明 田婕 徐赛男 赵邠婕 陈镜姣 李芳芳 邓欣 ZHOU Yu-Lin;ZHANG Fu-Xing;ZHU Xiao-Ming;TIAN Jie;XU Sai-Nan;ZHAO Bin-Jie;CHEN Jing-Jiao;LI Fang-Fang;DENG Xin(Key Laboratory of Functional Metal-Organic Compounds of Hunan Province,Key Laboratory of Organometallic New Materials of University of Hunan Province,Hunan Engineering Research Center for Monitoring and Treatment of Heavy Metals Pollution in the Upper Reaches of Xiangjiang River,Department of Chemistry and Material Science,Hengyang Normal University,Hengyang,Hunan 421008,China)

机构地区：[1]衡阳师范学院化学与材料科学学院,功能金属有机化合物湖南省重点实验室,金属有机新材料湖南省普通高等学校重点实验室,湘江上游重金属污染监测与治理湖南省工程研究中心,衡阳421008

出　　处：《无机化学学报》2022年第8期1533-1540,共8页Chinese Journal of Inorganic Chemistry

基　　金：湖南省教育厅重点项目(No.19A070);湖南省自然科学青年基金项目(No.2021JJ40010);湖南省功能金属有机化合物重点实验室开放基金(No.2021HSKFJJ002);湖南省应用特色学科基金;湖南省高校科技创新团队支持计划;衡阳市科技局项目;湖南省大学生创新创业训练计划项目资助

摘　　要：合成了2个有机锡杂环羧酸酯配合物:二(邻溴苄基)锡二(2-吡啶甲酸)酯(1)和三(2-甲基-2-苯基丙基)锡3-吲哚丁酸酯(2)。通过元素分析、红外光谱、核磁共振谱(^(1)H、^(13)C和^(119)Sn)、X射线衍射、热重分析进行了表征,用X射线单晶衍射方法测定了配合物的晶体结构,进行了配合物的结构量子化学从头计算和体外抗癌活性研究。结果显示:配合物均为单锡核分子,锡原子分别为六配位的畸变八面体构型和四配位的畸变四面体构型;配合物对人肝癌细胞(HUH7)、人肺癌细胞(A549)、人表皮癌细胞(A431)、人结肠癌细胞(HCT-116)和乳腺癌细胞(MDA-MB-231)的抑制活性均比临床使用的顺铂强。Two organotin heterocyclic carboxylate complexes di(o-bromobenzyl)tin bis(2-pyridinecarboxylate)(1)and tri(2-methyl-2-phenyl propyl)tin 3-indole butyrate(2)have been synthesized by a solvothermal method using methanol as solvent.The complexes were characterized by elemental analysis,IR spectroscopy,NMR(^(1)H,^(13)C,and ^(119)Sn),X-ray diffraction,and thermogravimetric analysis.The crystal structures of the complexes were determined by X-ray single-crystal diffraction.The results show that the complexes have a single tin core structure,and the tin atoms are six-coordinate distorted octahedron configuration and four-coordinate distorted tetrahedron configuration respectively.The stabilities,orbital energies,and composition characteristics of some frontier molecular orbitals of 1 and 2 have been carefully investigated with quantum chemistry calculation.In addition,the in vitro antitumor activities suggest that 1 and 2 had higher activities than cisplatinum against human hepatoma cells(HUH7),human lung cancer cells(A549),human epidermal cancer cells(A431),human colon cancer cells(HCT-116),and breast cancer cells(MDA-MB-231).CCDC:2133058,1;2133057,2.

关 键 词：二(邻溴苄基)锡二(2-吡啶甲酸酯) 三(2-甲基-2-苯基丙基)锡3-吲哚丁酸酯 晶体结构 量子化学 体外抗癌活性 

分 类 号：O614.432[理学—无机化学]