[(η6:κ1-C6H5(CH2)2NH2)RuCl2] | 956225-91-5

• 英文名称: [(η6:κ1-C6H5(CH2)2NH2)RuCl2]
• 英文别名: [(η⁶:κ¹-C6H5(CH2)2NH2)RuCl2]；[(η6:η1-2-phenethylamine)RuCl2]
• CAS: 956225-91-5
• 化学式: C₈H₁₁Cl₂NRu
• 分子量: 293.158
• InChiKey: BDJJJOCRVMEZKN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(η6:κ1-C6H5(CH2)2NH2)RuCl2] 、 水 以 水 为溶剂， 生成 [(η6:η1-2-phenethylamine)Ru(H2O)2]Cl2 、 [(η6:η1-2-phenethylamine)RuCl(H2O)]Cl
  参考文献：
  名称：

  Bifunctional Amine-Tethered Ruthenium(II) Arene Complexes Form Monofunctional Adducts on DNA

  摘要：

  The tethered Ru-II half-sandwich complexes [eta(6):eta(1)-C6H5(CH2)(n)NH2)RuCl2] 1 (n = 3) and 2 (n = 2) have been synthesized as potential bifunctional anticancer complexes, and their X-ray crystal structures have been determined. They hydrolyze rapidly in aqueous solution to give predominantly mono-aqua mono-chlorido species. Mono-9EtG adducts, where 9EtG = 9-ethylguanine, form rapidly, but the second 9EtG binds more slowly and more weakly. In the X-ray crystal structure of the di-9EtG adduct [(eta(6):eta(1)-C6H5(CH2)(3)NH2)Ru(9EtG)(2)](CF3SO3)(2)center dot H2O (8 center dot H2O), one of the Ru-N7 bonds is significantly longer than the other (2.1588(18) vs 2.101(2) angstrom). The bound guanine bases adopt a head-to-head configuration, stabilized by tether NH2 hydrogen bonding to C60 of 9EtG. The X-ray crystal structure of the dinitrato complex [(eta(6):eta(1) -C6H5(CH2)(3)NH2)Ru(NO3)(2)] (3) showed both nitrates to be bound to ruthenium. This complex readily rutheniated calf thymus DNA but failed to produce stop sites on pSP73KB plasmid DNA during DNA transcription by an RNA polymerase. This suggested that only monofunctional DNA adducts formed, as did interstrand cross-linking assays. Also, the unwinding angle induced in negatively supercoiled DNA (9 +/- 1 degrees) was less than that induced by cisplatin (13 degrees). These findings may explain why complexes such as 1 and 2 exhibited low cytotoxicities (IC50 values >100 mu M) toward A2780 human ovarian cancer cells.

  DOI：

  10.1021/ic700799w
• 作为产物：
  描述：

  [Ru(η6-C6H5(CH2)2NH3Cl)Cl2]2 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 [(η6:κ1-C6H5(CH2)2NH2)RuCl2]
  参考文献：
  名称：

  Phenylalanine – a biogenic ligand with flexible η6- and η6:κ1-coordination at ruthenium(ii) centres

  摘要：

  (S)-2,5-二氢苯丙氨酸1与氯化钌(III)的反应生成γ-氯桥联二聚体Γ6-苯丙氨酸乙酯络合物3，后者在碱性条件下可转化为单体类似物Γ6:Γ1-苯丙氨酸乙酯络合物12。研究人员对Γ6-和Γ6:Γ1-螯合苯丙氨酸配体在各种条件下的稳定性和反应性进行了研究。3与乙二胺衍生物N-对甲苯磺酰乙二胺或1,4-二-N-对甲苯磺酰乙二胺的反应生成单体Γ6:Γ1-苯丙氨酸乙酯络合物14和15，后者可皂化生成络合物16和17，而不会改变金属中心的内配位层。Γ6:Γ1-苯丙氨酸络合物17和N-Γ1-苯丙氨酸络合物13的结构通过X射线晶体学得到了证实，它们是由3与过量吡啶反应生成的。

  DOI：

  10.1039/c3dt50589h