[Cu(Xan)(NA)(H2O)]*H2O | 1581719-62-1

• 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: [Cu(Xan)(NA)(H2O)]*H2O
• 英文别名: aqua(nicotinamido)(xanthurenato)copper(II) monohydrate；[Cu(Xan)(NA)(H₂O)]*H₂O；aqua(nicotinamido)(xanthurenato)copper(II) trihydrate；[Cu(Xan)(NA)(H₂O)]*3H₂O
• CAS: 1581719-62-1
• 化学式: C₁₆H₁₃CuN₃O₆*H₂O
• 分子量: 424.857
• InChiKey: DELGUMZLNDJJJW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [Cu(xanthurenato)(H2O)2]*H2O 、 烟酰胺 以 乙醇 为溶剂， 反应 1.5h， 以10%的产率得到[Cu(Xan)(NA)(H2O)]*H2O
  参考文献：
  名称：

  Synthesis, structure, antioxidant and SOD-mimetic activity of [Cu(xanthurenate)(nicotinamide)(H2O)] complexes

  摘要：

  This study reports the synthesis of novel mixed ligand complexes of copper(II) with the xanthurenate anion (Xan(2-)) and nicotinamide ligand (NA): [Cu(Xan)(NA) (H2O)]center dot H2O and [Cu(Xan)(NA)(H2O)]center dot 3H(2)O. The compounds were characterized by single crystal X-ray diffraction, IR spectroscopy, and thermal analysis. The first coordination sphere of copper(II) in [Cu(Xan)(NA)(H2O)] consists of a water molecule, a nicotinamide ligand coordinated via the pyridine nitrogen and a xanthurenate dianion coordinated in a tridentate manner via carboxylate oxygen, nitrogen, and phenolate oxygen. The five donor atoms define a distorted square pyramid whose apex is occupied by the aqua ligand. The antioxidant activities of the compounds were investigated by the 2,2-diphenyl-1-picrylhydrazyl scavenging method, which showed that the IC50 values for both compounds are higher than for related [Cu(Xan)(H2O)(2)] complex. The title compounds also exhibit superoxide dismutase mimetic activity.

  DOI：

  10.1007/s00706-014-1168-y