[RuCl2(η6-C6H5(CH2)2CH(OH)CH3)]2 | 876728-08-4

• 英文名称: [RuCl2(η6-C6H5(CH2)2CH(OH)CH3)]2
• 英文别名: [Ru(η6-4-phenyl-2-butanol)Cl2]2
• CAS: 876728-08-4
• 化学式: C₂₀H₂₈Cl₄O₂Ru₂
• 分子量: 644.393
• InChiKey: VPXKXRPVBOZXHM-TYZWCTAXSA-J

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：

  [RuCl2(η6-C6H5(CH2)2CH(OH)CH3)]2 、 联苯基[4-(1H,1H,2H,2H-全氟癸基)苯基]膦 以 氯仿 为溶剂， 以92%的产率得到[Ru(η6-4-phenyl-2-butanol)Cl2(PPh2(p-C6H4C2H4C8H17))]
  参考文献：
  名称：

  Use of Perfluorinated Phosphines to Provide Thermomorphic Anticancer Complexes for Heat-Based Tumor Targeting

  摘要：

  A series of compounds of general formula [Ru(eta(6)-arene)(pta)(PR3)Cl]BF4 (arene = p-cymene or 4-phenyl-2-butanol; pta = 1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane, PR3 = PPh2(p-C6H4C2H4C8F17), PPh(p-C6H4C2H4C8F17)(2), P(p-C6H4C2H4C6F13)(3), PPh3 or P(p-C6H4F)(3)) have been prepared and characterized by spectroscopic methods. The structure of [Ru(eta(6)-p-cymene)(pta)Cl(P(p-C6H4F)(3))]BF4 has also been established in the solid state by X-ray crystallography. The cytotoxicities of the compounds were determined in the A2780 and A2780 cisplatin-resistant cell lines revealing that the fluorinated phosphines significantly increase antiproliferative activity relative to their bis-chloride precursors. Two of the complexes were found to be thermoresponsive, that is, showing poor water solubility at 37 degrees C and good solubility at 42 degrees C, the temperature of a heated tumor, providing a method of tumor targeting. Incubation at 42 degrees C for 2 h resulted in improved cytotoxicities for two of the complexes.

  DOI：

  10.1021/ic9020433
• 作为产物：
  描述：

  水合三氯化钌 、 4-(cyclohexa-1,4-dienyl)butan-2-ol 以 乙醇 为溶剂， 以92%的产率得到[RuCl2(η6-C6H5(CH2)2CH(OH)CH3)]2
  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