1,12-bis{chlorido[5-(oxo-κO)-2-methyl-4-(1H)-pyridinonato-κO4](η6-p-cymene)ruthenium(II)}dodecane | 1016583-14-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1,12-bis{chlorido[5-(oxo-κO)-2-methyl-4-(1H)-pyridinonato-κO4](η6-p-cymene)ruthenium(II)}dodecane
• 英文别名: 1,12-bis(chlorido[3-(oxo-κO)-2-methyl-4-pyridinonato-κO4](η6-p-isopropyltoluene)ruthenium)dodecane
• CAS: 1016583-14-4
• 化学式: C₄₄H₆₂Cl₂N₂O₄Ru₂
• 分子量: 956.033
• InChiKey: KGKVCVUTJHIRFU-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  2.66
• 重原子数：
  54
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 1,12-bis[3-hydroxy-2-methyl-4(1H)-pyridinon-1-yl]dodecane 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以45%的产率得到1,12-bis{chlorido[5-(oxo-κO)-2-methyl-4-(1H)-pyridinonato-κO4](η6-p-cymene)ruthenium(II)}dodecane
  参考文献：
  名称：

  Influence of the Spacer Length on the in Vitro Anticancer Activity of Dinuclear Ruthenium−Arene Compounds

  摘要：

  Water-soluble dinuclear Ru-arene complexes were synthesized and found to exert promising cytotoxic effects in human cancer cells, which could be increased to an IC50 of 0.29 mu M by increasing the spacer length between the metal centers. Cytotoxicity could be correlated with lipophilicity (log P values) and water solubility. The most potent dinuclear compound, 1,12-bis{chlorido[3-(oxo-kappa O)-2-methyl-4-pyridinonato-kappa O4](eta(6)-p-isopropyltoluene)ruthenium}dodecane, is at least 2-3 orders of magnitude more active than the mononuclear analogue chlorido[3-(oxo-kappa O)-2-methyl-4-pyronato-kappa O4](eta(6)-p-isopropyltoluene)-ruthenium.

  DOI：

  10.1021/om800207t