Cu(terpyridine)(NO3)2*H2O | 86471-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Cu(terpyridine)(NO3)2*H2O
• 英文别名: Copper;2,6-dipyridin-2-ylpyridine;dinitrate;hydrate；copper;2,6-dipyridin-2-ylpyridine;dinitrate;hydrate
• CAS: 86471-88-7
• 化学式: C₁₅H₁₃CuN₄O₄*NO₃
• 分子量: 438.844
• InChiKey: UUQPDUMTDDHCQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  165
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  α,α,α-三联吡啶 、 copper(II) nitrate trihydrate 以88%的产率得到Cu(terpyridine)(NO3)2*H2O
  参考文献：
  名称：

  Effect of coordinated ligands on antiproliferative activity and DNA cleavage property of three mononuclear Cu(II)-terpyridine complexes

  摘要：

  Three mononuclear copper(II) complexes, [Cu(tpy)Cl-2] 1, [Cu(tpy)(NO3)(2)(H2O)] 2 and [Cu(Ptpy)Cl-2]center dot H2O center dot HCl 3 have been synthesised and characterized by various spectroscopic techniques and single crystal X-ray diffraction. Complexes 1 and 3 have five coordinate geometry in solid state, whereas complex 2 has six coordinate geometry. Mass spectral and EPR evidence suggest that in solution all the three complexes exist predominantly as a four coordinate species. Molecular modelling and DNA cleavage studies indicate that complexes 1 and 2 are DNA minor groove binders, whereas 3 is an intercalator. All the three complexes show nuclease activity in the presence of hydrogen peroxide. The three complexes have been found to be cytotoxic towards A549 lung adenocarcinoma cells. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.06.039