[PtMe3(μ-tpt-κS(1-))]4 | 913544-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: [PtMe3(μ-tpt-κS(1-))]4
• 英文别名: [PtMe3(μ-thiophene-2-thiol-κS(1-))]4
• CAS: 913544-08-8
• 化学式: C₂₈H₄₈Pt₄S₈
• 分子量: 1421.54
• InChiKey: IITUWZWMHMANPO-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  三甲基碘化铂 、 噻吩-2-硫醇钠 以 甲醇 、 二氯甲烷 为溶剂， 以21%的产率得到[PtMe3(μ-tpt-κS(1-))]4
  参考文献：
  名称：

  Synthesis, structures and in vitro cytotoxicity studies of platinum(IV) complexes with N,S and S,S heterocyclic ligands

  摘要：

  Reactions of [(PtMe3I)(4)] (2) with the sodium salts of the N,S and S,S heterocycles S-DH (pyridine-2-thione, pytH; pyrimidine-2-thione, pymtH; thiazoline-2-thione, tztH; thiophene-2-thiol, tptH) resulted in the formation of the dinuclear complexes [(PtMe3)(2)(mu-D)(2)] (S-D = pyt, 3; pymt, 4; tzt, 5) and the tetranuclear complex [(PtMe3)(4)(mu(3)-tpt)(4)] (6), respectively. Single crystal X-ray diffraction analyses of 3 and 4 exhibited dinuclear complexes having a central [Pt-2(mu-S)(2)] core. The platinum atoms are octahedrally coordinated by three methyl ligands and the bridging 1 kappa N,1:2 kappa S-2 heterocyclic ligands. The two heterocyclic rings are face-to-face (cis) arranged, indicating stabilization through pi-pi stacking. The X-ray diffraction analysis of 6 confirmed a tetranuclear [Pt4S4] heterocubane structure. Each platinum atom is distorted octahedrally coordinated by three methyl ligands in facial arrangement and three mu(3)-bridging sulfur atoms. DFT calculations exhibited that the formation of the tetranuclear complex 6 can be mainly attributed to the weak coordination tendency of the thiophene S atoms of the tpt ligands to the trimethylplatinum(IV) unit. In vitro cytotoxic studies of the complexes 3-5 using five different tumor cell lines (8505C, A253, A549, A2780, DLD-1) revealed moderate to high cytotoxic activities. The most active compound is [(PtMe3)(2)(mu-tzt)(2)] (5) with IC50 values of 0.5-1.2 mu M on investigated cell lines, which is comparable to cisplatin or even better. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.08.004