[(C5H5)Ru(1,3,5-triaza-7-phosphaadamantane)(PPh3)(8-methylthio-theophyllinate-κS)] | 1263431-36-2

• 英文名称: [(C5H5)Ru(1,3,5-triaza-7-phosphaadamantane)(PPh3)(8-methylthio-theophyllinate-κS)]
• CAS: 1263431-36-2
• 化学式: C₃₇H₄₁N₇O₂P₂RuS
• 分子量: 810.862
• InChiKey: PQFYEFGRENXLDD-UHFFFAOYSA-M

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：

  [(η5-cyclopentadienyl)Ru(1,3,5-triaza-7-phosphaadamantane)(PPh3)Cl] 、 8-Methylthiotheophylline 在 KOH 作用下， 以 乙醇 为溶剂， 以70%的产率得到[(C5H5)Ru(1,3,5-triaza-7-phosphaadamantane)(PPh3)(8-methylthio-theophyllinate-κS)]
  参考文献：
  名称：

  Water-Soluble Cp Ruthenium Complex Containing 1,3,5-Triaza-7-phosphaadamantane and 8-Thiotheophylline Derivatives: Synthesis, Characterization, and Antiproliferative Activity

  摘要：

  The new water-soluble ruthenium(II) mononuclear complexes [RuCp(X)(PTA)(L)] (X = 8-thio-theophyllinate (TTH-), L = PTA (1), L = PPh3 (7)); (X = 8-methylthio-theophyllinate (8-MTT-), L = PTA (2), L = PPh3 (8)), (X = 8-benzylthiotheophyllinate (8-BzTT(-)), L = PTA (3), L = PPh3. (9)) and binuclear complexes [{RuCp(PTA)(L)}(2)-mu-(Y-kappa N7,N'7)] (Y = bis(S-8-thiotheophyllinate)methane (MBTT2-), L = PTA (4), L = PPh3 (10)), (Y = 1,2-bis(S-8-thiotheophyllinate)ethane (EBTT2-), L= PTA (5), L=PPh3 (11)), (Y=1,3-bis(S-8-thiotheophyllinate)propane (PBTT2-); L = PTA (6), L=PPh3 (12)) have been synthesized and characterized by NMR, IR spectroscopy and elemental analysis. The single crystal X-ray structure of [RuCp(8-MTT-kappa S)(PTA)(2)] (2) was also obtained. The antiproliferative activity of the complexes on cisplatin-sensitive T2 and cisplatin-resistant SKOV3 cell lines has been evaluated.

  DOI：

  10.1021/ic101466u