[Ti(η5-C5H5)2(2-(mesitylthio)acetate)2] | 1210054-47-9

• 英文名称: [Ti(η5-C5H5)2(2-(mesitylthio)acetate)2]
• CAS: 1210054-47-9
• 化学式: C₃₂H₃₆O₄S₂Ti
• 分子量: 596.647
• InChiKey: LPIQSQKUYYROOZ-UHFFFAOYSA-L

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：

  二氯二茂钛 、 2-(mesitylthio)acetic acid 在 triethylamine 作用下， 以 甲苯 为溶剂， 以43%的产率得到[Ti(η5-C5H5)2(2-(mesitylthio)acetate)2]
  参考文献：
  名称：

  Titanium(IV) carboxylate complexes: Synthesis, structural characterization and cytotoxic activity

  摘要：

  Four titanium(IV)carboxylate complexes [Ti(eta 5-C5H5)(2)(O(2)CCH(2)SMes)(2)] (1), [Ti(eta(5)-C5H4Me)(2)(O2CCH2SMeS)(2)] (2). [Ti(eta(5)-C5H5)(eta(5)-C5H4SiMe3)(O2CCH2SMeS)(2)] (3) and [Ti(eta(5)-C5Me5)(O(2)CCH(2)SMes)(3)] (4: Mes = 2,4,6-Me3C6H2) have been synthesised by the reaction of the corresponding titanium derivatives [Ti(eta(5)-C5H5)(2)Cl-2], [Ti(eta(5)-C5H4Me)(2)Cl-2], [Ti(eta(5)-C5H5)(eta(5)-C5H4SiMe3)Cl-2] and [Ti(eta(5)-C5Me5)Cl-3] and two (for 1-3) or three (for 4) equivalents of mesitylthioacetic acid. Complexes 1-4 have been characterized by spectroscopic methods and the molecular structure of the complexes 1, 2 and 4 have been determined by X-ray diffraction studies. The cytotoxic activity of 1-4 was tested against tumor cell lines human adenocarcinoma HeLa, human myelogenous leukemia K562, human malignant melanoma Fem-x, and normal immunocompetent cells. that is peripheral blood mononuclear cells PBMC and compared with those of the reference complexes [Ti(eta(5)-C5H5)(2)Cl-2] (R1), [Ti(eta(5)-C5H4Me)(2)Cl-2] (R2), [Ti(eta(5)-C5H5) (eta(5)-C5H4SiMe3)Cl-2] (R3) and cisplatin. In all cases, the cytotoxic activity of the carboxylate derivatives was higher than that of their corresponding dichloride analogues, indicating a positive effect of the carboxylato ligand on the final anticancer activity. Complexes 1-4 are more active against K562 (IC50 values from 72.2 to 87.9 mu M) than against HeLa (IC50 values from 107.2 to 142.2 mu M) and Fem-x cells (IC50 values from 90.2 to 191.4 mu M). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.05.068