2,2'-(4,4'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(4,1-phenylene))bis(1H-imidazo[4,5-f][1,10]phenanthroline) | 1299489-38-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2,2'-(4,4'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(4,1-phenylene))bis(1H-imidazo[4,5-f][1,10]phenanthroline)
• CAS: 1299489-38-5
• 化学式: C₄₂H₃₀N₈O₃
• 分子量: 694.752
• InChiKey: ZEQPJLYLSAPRAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.44
• 重原子数：
  53.0
• 可旋转键数：
  10.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  136.61
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  1,10-邻二氮杂菲-5,6-二酮 、 4,4'-(3-氧杂戊烷二基二氧基)二苯甲醛 在 ammonium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 5.0h， 生成 2,2'-(4,4'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(4,1-phenylene))bis(1H-imidazo[4,5-f][1,10]phenanthroline)
  参考文献：
  名称：

  The interesting DNA-binding properties of three novel dinuclear Ru(II) complexes with varied lengths of flexible bridges

  摘要：

  Three binuclear Ru(II) complexes with two [Ru(bpy)(2)(pip)](2+)-based subunits {where bpy =2,2'-bipyridine and pip =2-phenylimidazo[4,5-f][1,10]phenanthroline} being linked by varied lengths of flexible bridges, were synthesized and characterized by H-1 NMR, elemental analysis, UV-visible (UV-vis) and photoluminescence spectroscopy. The structures of the three complexes were optimized by density functional theory calculations. The interaction of the complexes with calf thymus DNA was investigated by UV-vis and luminescence titrations, steady-state emission quenching by [Fe(CN)(6)](4-), DNA competitive binding with ethidium bromide, DNA melting experiments, and viscosity measurements. The experimental results indicated that the three complexes bound to the DNA most probably in a threading intercalation binding mode with high DNA binding constant values three orders of magnitude greater than the DNA binding constant value reported for proven DNA intercalator, mononuclear counterpart [Ru(bpy)(2)(p-mopip)](2+) {p-mopip = 2-(4-methoxylphenyl)imidazo[4,5-f][1,10] phenanthroline}. (C) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2010.12.004