[Co(mpca)2]*H2O | 1579224-71-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: [Co(mpca)2]*H2O
• 英文别名: [Co(mpca)₂]*H2O
• CAS: 1579224-71-7
• 化学式: C₂₈H₁₈CoN₄O₄*H₂O
• 分子量: 551.484
• InChiKey: DCXJMGNHCQCCAD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  cobalt(II) nitrate hexahydrate 、 新铜试剂 、 水 在 盐酸 、 sodium molybdate 作用下， 反应 72.0h， 以60%的产率得到[Co(mpca)2]*H2O
  参考文献：
  名称：

  Synthesis and structure elucidation of a cobalt(II) complex as topoisomerase I inhibitor: In vitro DNA binding, nuclease and RBC hemolysis

  摘要：

  Metal-based cancer chemotherapeutic agent of the type Co(II) complex [Co(mpca)(2)].H(2)0 (1), where, Hmpca = 9-methyl-[1,10] phenanthroline-2-carboxylic acid was synthesized and characterized by various spectroscopic and analytical techniques and further authenticated by single crystal X-ray diffraction methods. In vitro DNA binding studies of complex 1 with CT DNA was carried out by several biophysical techniques in accordance with molecular docking technique which revealed that 1 binds to DNA via intercalation mode having GC-rich sequences. Complex 1 cleaves pBR322 DNA via hydrolytic pathway (validated by T4 DNA ligase assay). Furthermore, complex 1 exhibits significant inhibitory effects on the catalytic activity of Topo-I at 25 mu m concentration and further validated by molecular docking studies. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.10.025