Abstract

New complexes I–IV of di-tert-butyltin with ligands based on heterocyclic thioamides (2-mercaptobenzoxazole, 2-mercaptobenzothiazole, 2-mercaptobenzimidazole) and 2,6-di-tert-butyl-4-mercaptophenol are synthesized and studied by X-ray diffraction (XRD). The XRD results for single crystals of I, II, and IV are presented (CIF files CCDC nos. 2251495, 2251493, and 2251494, respectively). Specific features of the synthesized crystal structures are discussed. Complexes I and II contain the expected Sn–C and Sn–S bonds and an additional coordination with the nitrogen atom in the heterocycles, which indicates the octahedral environment of the Sn(IV) atom (coordination number 6). The coordination polyhedron in complex IV can be described as a distorted tetrahedron (coordination number 4). The proposed compounds are studied as antiproliferative agents. Their antiproliferative activity is determined using the human cancer cell lines (PC3, MCF-7, НСT116, A549, and normal cells WI38). A dependence of the activity on the ligand structure is found. A comparative evaluation of the activity shows that the introduction of the antioxidant 2,6-di-tert-butyl-4-mercaptophenol fragment into complex IV substantially decreases the cytotoxicity.

中文翻译：

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新型有机锡与杂环硫代酰胺配合物的抗癌活性

摘要

X 合成并研究了二叔丁基锡与杂环硫代酰胺（2-巯基苯并恶唑、2-巯基苯并噻唑、2-巯基苯并咪唑）和 2,6-二叔丁基-4-巯基苯酚配体的新配合物I – IV射线衍射（XRD）。给出了I、II和IV单晶的 XRD 结果（CIF 文件 CCDC 编号分别为 2251495、2251493 和 2251494）。讨论了合成晶体结构的具体特征。配合物I和II包含预期的 Sn-C 和 Sn-S 键以及与杂环中氮原子的额外配位，这表明 Sn(IV) 原子的八面体环境（配位数 6）。配合物IV中的配位多面体可以描述为扭曲的四面体（配位数 4）。所提出的化合物作为抗增殖剂进行研究。它们的抗增殖活性是使用人类癌细胞系（PC3、MCF-7、НСT116、A549 和正常细胞 WI38）测定的。发现活性对配体结构的依赖性。活性的比较评估表明，将抗氧化剂2,6-二叔丁基-4-巯基酚片段引入复合物IV中显着降低了细胞毒性。