[Ru(pyrazino[2,3-f][1,10]phenanthroline)Cl4] | 1038432-98-2

• 英文名称: [Ru(pyrazino[2,3-f][1,10]phenanthroline)Cl4]
• 英文别名: [Ru(dpq)Cl4]
• CAS: 1038432-98-2
• 化学式: C₁₄H₈Cl₄N₄Ru
• 分子量: 475.126
• InChiKey: IVYKFJDEWFHWTE-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

• 作为反应物：
  描述：

  N-甲基咪唑 、 [Ru(pyrazino[2,3-f][1,10]phenanthroline)Cl4] 、 sodium perchlorate 、 水 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到[Ru(MeIm)4(dpq)](ClO4)2*2H2O
  参考文献：
  名称：

  Experimental and theoretical studies on the DNA-binding and spectral properties of water-soluble complex [Ru(MeIm)4(dpq)]2+

  摘要：

  A new water-soluble Ru(II) complex [Ru(MeIm)(4)(dpq)](2+) 1, has been synthesized and characterized by elemental analysis, H-1 NMR, ESI-MS and UV-Vis. The interaction of the complex with CT-DNA has been explored by using electronic absorption titration, competitive binding experiment, circular dichroic (CD) spectra, thermal denaturation and viscosity measurements. The experimental results show that: the title complex can bind to DNA in an intercalative mode and its DNA-binding affinity is weaker (K-b = 1.2 x 10(4) m(-1)) than that of the complex [Ru(bpy)(2)(dpq)](2+) 2 with bidentate co-ligands (K-b = 4.7 x 10(4) m(-1)). Here a very interesting finding is that the hypochromism of the title complex is not linear relation to its DNA-binding affinity. In addition, some significant thermodynamic parameters of the binding of the title complex to DNA, e.g., the changes of free energy at melting temperature, standard enthalpy, and standard entropy (Delta G(T)(0), Delta H-0, and Delta S-0), were determined and calculated. In order to deeply explain the experimental findings, the DFT/TDDFT computations were carried out. On the basis of the DFT/TDDFT results and the frontier molecular orbital theory, the trend in DNA-binding affinities and the spectral properties as well as the interesting phenomena of larger extent of hypochromism but relatively smaller Kb value for the title complex 1 compared with complex 2 were reasonably explained. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.09.010
• 作为产物：
  描述：

  盐酸 、 水合三氯化钌 、 吡嗪并[2，3-f]的[1，10]菲咯啉 以 水 为溶剂， 以60%的产率得到[Ru(pyrazino[2,3-f][1,10]phenanthroline)Cl4]
  参考文献：
  名称：

  Experimental and theoretical studies on the DNA-binding and spectral properties of water-soluble complex [Ru(MeIm)4(dpq)]2+

  摘要：

  A new water-soluble Ru(II) complex [Ru(MeIm)(4)(dpq)](2+) 1, has been synthesized and characterized by elemental analysis, H-1 NMR, ESI-MS and UV-Vis. The interaction of the complex with CT-DNA has been explored by using electronic absorption titration, competitive binding experiment, circular dichroic (CD) spectra, thermal denaturation and viscosity measurements. The experimental results show that: the title complex can bind to DNA in an intercalative mode and its DNA-binding affinity is weaker (K-b = 1.2 x 10(4) m(-1)) than that of the complex [Ru(bpy)(2)(dpq)](2+) 2 with bidentate co-ligands (K-b = 4.7 x 10(4) m(-1)). Here a very interesting finding is that the hypochromism of the title complex is not linear relation to its DNA-binding affinity. In addition, some significant thermodynamic parameters of the binding of the title complex to DNA, e.g., the changes of free energy at melting temperature, standard enthalpy, and standard entropy (Delta G(T)(0), Delta H-0, and Delta S-0), were determined and calculated. In order to deeply explain the experimental findings, the DFT/TDDFT computations were carried out. On the basis of the DFT/TDDFT results and the frontier molecular orbital theory, the trend in DNA-binding affinities and the spectral properties as well as the interesting phenomena of larger extent of hypochromism but relatively smaller Kb value for the title complex 1 compared with complex 2 were reasonably explained. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.09.010