[(η6-p-MeC6H4iPr)2Ru2(μ2-SCH2C6H4–p-tBu)2(μ2-S-p-C6H4iPr)]+Cl- | 1448989-82-9

• 英文名称: [(η6-p-MeC6H4iPr)2Ru2(μ2-SCH2C6H4–p-tBu)2(μ2-S-p-C6H4iPr)]+Cl-
• 英文别名: [(η⁶-p-MeC₆H₄ⁱPr)₂Ru₂(μ₂-SCH₂C₆H₄-p-^tBu)₂(μ₂-S-p-C₆H₄ⁱPr)]⁺Cl^-
• CAS: 1448989-82-9
• 化学式: C₅₁H₆₉Ru₂S₃*Cl
• 分子量: 1015.9
• InChiKey: DYSGLWDOJYWGRQ-UHFFFAOYSA-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

• 作为产物：
  描述：

  对异丙基苯硫酚 、 [(η⁶-p-MeC₆H₄ⁱPr)₂Ru₂Cl₂(μ₂-SCH₂C₆H₄-p-^tBu)₂] 以 乙醇 为溶剂， 反应 15.0h， 以87%的产率得到[(η6-p-MeC6H4iPr)2Ru2(μ2-SCH2C6H4–p-tBu)2(μ2-S-p-C6H4iPr)]+Cl-
  参考文献：
  名称：

  Synthesis, characterization and in vitro anticancer activity of highly cytotoxic trithiolato diruthenium complexes of the type [(η6-p-MeC6H4iPr)2Ru2(μ2-SR1)2(μ2-SR2)]+ containing different thiolato bridges

  摘要：

  A series of cationic dinuclear p-cymene ruthenium complexes containing three thiolato bridges with different substituents at the sulfur atoms, [(eta(6)-p-(MeC6H4Pr)-Pr-i)(2)Ru-2(mu(2)-SR1)(2)(mu(2)-SR2)](+) (R-1 = CH2Ph, R-2 = Ph: 4; R-1 = CH2Ph, R-2 = p-(C6H4Pr)-Pr-i: 5; R-1 = CH2Ph, R-2 = p-(C6H4Bu)-Bu-t: 6; R-1 = CH2Ph, R-2 = p-C6H4OH: 7; R-1 = CH2Ph, R-2 = p-C6H4Br: 8; R-1 = CH2Ph, R-2 = p-C6H4F: 9; R-1 = CH2CH2Ph, R-2 = Ph: 10; R-1 = CH2CH2Ph, R-2 = p-(C6H4Pr)-Pr-i: 11; R-1 = CH2CH2Ph, R-2 = p-(C6H4Bu)-Bu-t: 12; R-1 = CH2CH2Ph, R-2 = p-C6H4OH: 13; R-1 = CH2CH2Ph, R-2 = p-C6H4Br: 14; R-1 = CH2CH2Ph, R-2 = p-C6H4F: 15; R-1 = CH2C6H4-p-Bu-t, R-2 = Ph: 16; R-1 = CH2C6H4-p-Bu-t, R-2 = p-(C6H4Pr)-Pr-i: 17; R-1 = CH2C6H4-p-Bu-t, R-2 = p-(C6H4Bu)-Bu-t: 18; R-1 = CH2C6H4-p-Bu-t, R-2 = p-C6H4OH: 19; R-1 = CH2C6H4-p-Bu-t, R-2 = p-C6H4Br: 20; R-1 = CH2C6H4-p-Bu-t, R-2 = p-C6H4F: 21), have been obtained from the reaction of the neutral dithiolato intermediates [(eta(6)-p-(MeC6H4Pr)-Pr-i)(2)Ru2Cl2(mu(2)-SR1)(2)] (R-1 = CH2Ph: 1; R-1 = CH2CH2Ph: 2; R-1 = CH2C6H4-p-Bu-t: 3) with the corresponding thiophenol (RSH)-S-2. All cationic complexes have been isolated as their chloride salts and fully characterized by spectroscopic and analytical methods. All complexes are highly cytotoxic against human ovarian cancer cells, the IC50 values being in the submicromolar range. The highest activity is shown by complex 6 with IC50 values of 48 nM against the A2780 cell line and 42 nM against the cisplatin-resistant line A2780cisR. This family of cationic trithiolato complexes belongs to the most cytotoxic ruthenium compounds ever reported. The catalytic activity selected representatives for the oxidation of glutathione (GSH) to GSSG has been investigated by NMR spectroscopy. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.04.049