[cadmium(2-(pyridin-2-yl)benzo[d]thiazole)(acetate)2(H2O)] | 1430821-27-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: [cadmium(2-(pyridin-2-yl)benzo[d]thiazole)(acetate)2(H2O)]
• CAS: 1430821-27-4
• 化学式: C₁₆H₁₆CdN₂O₅S
• 分子量: 460.789
• InChiKey: XLUPOCAIOYSIKI-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：

  2-(2-吡啶)苯并噻唑 、 cadmium(II) acetate dihydrate 以 甲醇 为溶剂， 反应 2.0h， 以74%的产率得到[cadmium(2-(pyridin-2-yl)benzo[d]thiazole)(acetate)2(H2O)]
  参考文献：
  名称：

  Cadmium complexes and cocrystals of indium complexes of benzothiazole derivatives and anticancer activities of the cadmium complexes

  摘要：

  Cadmium and indium complexes [Cd(L-1)(O2CCH3)(2)(H2O)] (1) [Cd(L-2)(2)(O2CCH3)(2)(H2O)] (2), [(LIn)-In-1(H2O)Cl-3]center dot L-1 (3) and [(LIn)-In-1(MeOH)Cl-3]center dot L-1 (4) (where L-1 = 2-(pyridin-2-yl)benzo[d]thiazole and L-2 = 2-(pyridin-4-yl)benzo[d]thiazole) are synthesized and characterized. The cadmium complex 1 is hexa-coordinated in which L-1 act as N,N-chelate. The two acetate ligands of the complex bind to cadmium in monodentate and bidentate fashion. In the complex 2, the ligand L-2 binds to cadmium ion through the nitrogen atom of the pyridine ring. The indium complexes 3 and 4 are hexa-coordinated; each has one L-1 as chelating ligand and another L-1 as molecule of crystallization. Fluorescence study revealed that the ligand L-1 can detect indium(III) ions in the presence of cadmium(II) ions. In cell-based cytotoxicity assays, the ligands are biologically inactive, while the cadmium complexes 1 and 2 are cytotoxic in pancreatic cancer cell lines Mia Paca-2, BxPC-3 and Panc-1, with IC50 values as low as 16.0 mu M. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.068