| 1612244-13-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• CAS: 1612244-13-9
• 化学式: C₃₉H₅₃Cu₂N₄O₁₂*ClO₄
• 分子量: 996.412
• InChiKey: QFPLJMSMLHSHND-UHFFFAOYSA-J

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：

  copper(II) perchlorate hexahydrate 、 2,3-二氢-1,4-苯并二噁烷-6-羧酸 、 N,N-二乙基乙二胺 在 氨 作用下， 以 乙醇 、 水 为溶剂， 反应 0.5h， 以83%的产率得到
  参考文献：
  名称：

  Synthesis, structure, and urease inhibitory activities of three binuclear copper(II) complexes with protocatechuic acid derivative

  摘要：

  Three Cu(II) complexes, [Cu-2(II)(L-1)(4)(L-2)(2)] (1), [Cu-2(II)(L-1)(4)(H2O)(2)]center dot HL (2), and [Cu-2(II)(L-1)(3)(L-3)(2)]ClO4 (3), with a ligand derived from protocatechuic acid (HL1= C9H8O4=2,3-dihydrobenzo[b][1,4]-dioxine-6-carboxylic acid, L-2= C7H9N=o-toluidine, L-3= C6H16N2=N, N-diethylethylenediamine) were synthesized and characterized by C, H, and N elemental analysis and single-crystal X-ray diffraction, which revealed that the three complexes have similar binuclear structures. Complexes 1 and 3 crystallized in triclinic space group P-1 and 2 in orthorhombic space group P2(1)2(1)2(1). The urease inhibitory activities of the three complexes were tested. All three complexes showed strong inhibitory activity against jack bean urease with an IC50 value of 6.8, 5.5, and 3.5 mu M compared with the acetohydroxamic acid (IC50 = 7.5 mu M), which was a positive control.

  DOI：

  10.1080/00958972.2014.910597