[Ru(ethylenediamine-N,N,N',N'-tetraacetate)(cytosine)](1-) | 129726-28-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [Ru(ethylenediamine-N,N,N',N'-tetraacetate)(cytosine)](1-)
• CAS: 129726-28-9
• 化学式: C₄H₅N₃O*C₁₀H₁₂N₂O₈*Ru
• 分子量: 500.387
• InChiKey: HSMTWPLRORVBDX-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -8.06
• 重原子数：
  29.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  238.77
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  K[Ru^III(ethylenediaminetetraacetate)Cl].2H₂O 、 胞嘧啶 在 水 作用下， 以 水 为溶剂， 生成 [Ru(ethylenediamine-N,N,N',N'-tetraacetate)(cytosine)](1-)
  参考文献：
  名称：

  Reactivity of [ Ru^III(edta)(H₂O)]^–with nucleic bases, nucleosides and DNA (calf-thymus) in aqueous solution (etda = ethylenediamine-N,N,N′,N′-tetraacetate)

  摘要：

  Reactions of [Ru-III(edta)(H2O)](-) (edta = ethylenediamine-N,N.N',N'-tetraacetate) with L' (L' = adenine, adenosine, cytosine, cytidine or thymine) and calf-thymus DNA were studied by spectrophotometric. electrochemical and kinetic methods. Spectral features of the substituted product [Ru-III(edta)L']- complexes were characterised by a strong ligand-to-metal charge transfer (l.m.c.t.) band in the UV region (293-309 nm). The E(1/2) values for the Ru-III-Ru-II couple for [Ru-III(edta)L'](-) are in the range -0.28 to -0.15 V (vs. saturated calomel electrode). Equilibration kinetics of complexation of [Ru-III(edta)(H2O)](-) with L' have been investigated using stopped-flow methods at 25 degrees C and pH 5.2. Equilibrium constants determined kinetically are in good agreement with those obtained spectrophotometrically. The reactivity of L' towards aqua-substitution of [Ru-III(edta)(H2O)](-) complex follows the sequence adenine > adenosine > cytosine > cytidine. On the basis of spectrophotometric, electrochemical and kinetic data and comparing the reactivity of [Ru-III(edta)(H2O)](-) with DNA bases and DNA (calf-thymus) itself it is proposed that the interaction of [Ru-III(edta)(H2O)](-) with DNA takes place through the adenine base unit in a kinetically preferred pathway.

  DOI：

  10.1039/dt9950002497