[RuCl2(η6-C6H5(CH2)2NH3)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)]Cl | 876728-19-7

• 英文名称: [RuCl2(η6-C6H5(CH2)2NH3)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)]Cl
• CAS: 876728-19-7
• 化学式: C₁₇H₂₈Cl₂N₄O₂PRu*Cl
• 分子量: 558.838
• InChiKey: QZESJMHZAUIKRR-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

• 作为产物：
  描述：

  [Ru(η6-C6H5(CH2)2NH3Cl)Cl2]2 、 3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane 以 N,N-二甲基甲酰胺 为溶剂， 以82%的产率得到[RuCl2(η6-C6H5(CH2)2NH3)(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)]Cl
  参考文献：
  名称：

  Influence of Hydrogen-Bonding Substituents on the Cytotoxicity of RAPTA Compounds

  摘要：

  A new series of organometallic ruthenium(II)-arene compounds of the type RuCl2(eta(6)-arene)(phosphine) (phosphine = 1,3,5-triaza-7-phosphaadamantane, PTA, and 3,7-diacetly-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane, DAPTA) with different potential hydrogen-bonding functionalities on the arene ligand have been prepared and studied for their antitumor activity. Cell viability studies using the TS/A mouse adenocarcinoma cancer cell line and the nontumorigenic HBL-100 human mammary cell line, combined with uptake determinations, are compared to the nonfunctionalized analogues, previously shown to be active on solid metastasizing tumors. The reactivity of the functionalized RAPTA compounds with a 14-mer oligonucleotide (established by mass spectrometry) has been rationalized by DFT calculations, which indicate that environmental factors are important.

  DOI：

  10.1021/om0508841