[Ru(η6-hexamethylbenzene)(3,7-dimethyl-7-phospha-1,3,5-triazabicyclo[3.3.1]nonane)Cl]Cl | 1122436-55-8

• 英文名称: [Ru(η6-hexamethylbenzene)(3,7-dimethyl-7-phospha-1,3,5-triazabicyclo[3.3.1]nonane)Cl]Cl
• 英文别名: [Ru(η6-C6Me6)(ptn)Cl]Cl
• CAS: 1122436-55-8
• 化学式: C₁₉H₃₄ClN₃PRu*Cl
• 分子量: 507.449
• InChiKey: QBXIGMDGKWDZSE-UHFFFAOYSA-L

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：

  氟硼酸钠 、 [Ru(η6-hexamethylbenzene)(3,7-dimethyl-7-phospha-1,3,5-triazabicyclo[3.3.1]nonane)Cl]Cl 以 二氯甲烷 为溶剂， 生成 [Ru(η6-hexamethylbenzene)(3,7-dimethyl-7-phospha-1,3,5-triazabicyclo[3.3.1]nonane)Cl]BF4
  参考文献：
  名称：

  Influence of Structural Variation on the Anticancer Activity of RAPTA-Type Complexes: ptn versus pta

  摘要：

  A series of compounds of the general formula [M(eta(6)-arene)(ptn)Cl]X (M = Ru, Os; arene = p-cymene, benzene, toluene, hexamethylbenzene; ptn = 3,7-dimethyl-7-phospha-1,3,5-triazabicyclo[3.3.1]nonane; X = Cl-, BF4-) have been prepared and characterized spectroscopically. X-ray diffraction was additionally used to characterize four of the complexes in the solid state. The hydrolysis of the compounds was studied, and their cytotoxicity was evaluated in A2780 ovarian cancer cells and found to be comparable to that of known RAPTA complexes based on 7-phospha-1,3,5-triazatricyclo[3.3.1.1]decane (pta). The reactivity of the complexes toward double-stranded oligonucleotides and the model protein ubiquitin was investigated using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) and gel electrophoresis, demonstrating a strong preference for the formation of covalent adducts with the protein. Correlations among compound structure, hydrolysis, biomolecular interactions, and cytotoxicity are established.

  DOI：

  10.1021/om800899e
• 作为产物：
  描述：

  [RuCl2(hexamethylbenzene)]2 、 3,7-Dimethyl-1,5,7-triaza-3-phosphabicyclo<3.3.1>nonane 以 氯仿 为溶剂， 以72%的产率得到[Ru(η6-hexamethylbenzene)(3,7-dimethyl-7-phospha-1,3,5-triazabicyclo[3.3.1]nonane)Cl]Cl
  参考文献：
  名称：

  Influence of Structural Variation on the Anticancer Activity of RAPTA-Type Complexes: ptn versus pta

  摘要：

  A series of compounds of the general formula [M(eta(6)-arene)(ptn)Cl]X (M = Ru, Os; arene = p-cymene, benzene, toluene, hexamethylbenzene; ptn = 3,7-dimethyl-7-phospha-1,3,5-triazabicyclo[3.3.1]nonane; X = Cl-, BF4-) have been prepared and characterized spectroscopically. X-ray diffraction was additionally used to characterize four of the complexes in the solid state. The hydrolysis of the compounds was studied, and their cytotoxicity was evaluated in A2780 ovarian cancer cells and found to be comparable to that of known RAPTA complexes based on 7-phospha-1,3,5-triazatricyclo[3.3.1.1]decane (pta). The reactivity of the complexes toward double-stranded oligonucleotides and the model protein ubiquitin was investigated using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) and gel electrophoresis, demonstrating a strong preference for the formation of covalent adducts with the protein. Correlations among compound structure, hydrolysis, biomolecular interactions, and cytotoxicity are established.

  DOI：

  10.1021/om800899e