[RuCl3(imidazole)(H2O)2] | 170966-84-4

• 英文名称: [RuCl3(imidazole)(H2O)2]
• 英文别名: cis-[RuCl3(1H-imidazole)(H2O)2]
• CAS: 170966-84-4
• 化学式: C₃H₈Cl₃N₂O₂Ru
• 分子量: 311.538
• InChiKey: CZNASXZLYLCTFT-UHFFFAOYSA-K

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：

  nami-A 、 水 以 further solvent(s) 为溶剂， 生成 [RuCl4(imidazole)(H2O)](1-) 、 [RuCl3(imidazole)(H2O)2] 、 [RuCl3(H2O)(1H-imidazole)(DMSO)]
  参考文献：
  名称：

  Control of ligand-exchange processes and the oxidation state of the antimetastatic Ru(iii) complex NAMI-A by interactions with human serum albumin

  摘要：

  利用电子顺磁共振波谱法(EPR)研究了抗转移的Ru(III)咪唑复合物[trans-RuCl4(1H-咪唑)(DMSO-S)](NAMI-A)在生理条件下的行为及其与人血清白蛋白(hsA)的相互作用。在pH值为7.4的生理缓冲液中，这些实验表明DMSO配体迅速被水取代，随后形成其他五种Ru(III)复合物，显示出进一步的水合过程。虽然在缓冲液中24小时后可见单核Ru(III)复合物的EPR谱，但第一水合步骤后总体信号强度的显著下降表明形成了氧桥联的Ru(III)低聚物。与hsA的共孵育显示通过疏水作用非常迅速地与蛋白质结合。随后通过配体与蛋白质侧链的交换进行配位，可能与组氨酸咪唑和其他至少一个特定位点结合。当该复合物在人血清中共孵育时也观察到类似行为，表明hsA结合在体内主导物种的形成。将抗坏血酸加入缓冲液中的NAMI-A中会导致定量还原，产生EPR静默的Ru(II)复合物。然而，当该复合物通过配位与hsA结合时，这一过程被阻止。综上所述，这些结果表明，通过防止低聚化和维持氧化态，hsA在静脉治疗NAMI-A后体内物种的形成中起着关键作用，形成了与蛋白质结合的单核Ru(III)物种。

  DOI：

  10.1039/c0dt01168a

文献信息

• Reactions of the Tetrachlorobis(imidazole)ruthenium(III) and Pentachloro(imidazole)ruthenium(III) Anions with Imidazole and N6,N6-Dimethyladenine
  作者：Craig Anderson、Andre L. Beauchamp

  DOI：10.1021/ic00128a017

  日期：1995.11

  The reactions of (ImH)(2)[RuCl(5)Im] (Im = imidazole) in water were monitored by H-1 NMR spectroscopy. Fast initial aquation of [RuCl(5)Im](2-) to [RuCl4(H2O)Im](-) is followed by successive substitutions along two pathways: slow displacement of extra Cl- ligands by water to form higher aquation products and attack of an Im ligand to give [RuCl(4)Im(2)](-), which then aquates. In the presence of 2 equiv of added Im, (ImH)[RuCl(4)Im(2)] gives mixtures of complexes containing three to four Im per Ru, whereas 20 equiv lead to species with five to six Im per Ru. Imidazole-rich species coexist in solution with the starting [RuCl(4)Im(2)](-) ion. X-ray diffraction work on [Ru(OH)(2)Im(4)][RuCl(4)Im(2)] (monoclinic, P2(1)/c, a = 13.126 Angstrom, b = 10.8833 Angstrom, c = 10.6110 Angstrom, beta = 108.280, R = 0.045) shows the presence of octahedral trans-[Ru(OH)(2)Im(4)](+) and trans-[RuCl(4)Im(2)](-) connected by hydrogen bonding. Many complexes and aquation products successively appear when Im is reacted with (ImH)(2)[RuCl(5)Im], and species with five to six Im ligands per Ru are again obtained with 20 equiv of added Im. An end product is isolated as yellow crystals and shown by X-ray diffraction (hexagonal, P6(3)/m, a = 8.9756 Angstrom, c = 20.880 Angstrom, R = 0.023) to be the [RuIm(6)]CO3 . 5H(2)O compound, containing the reduced Ru(II) octahedral [RuIm(6)](2+). In the presence of N6,N6-dimethyladenine (DMAD), [RuCl(4)Im(2)](-) in water slowly forms the [RuCl(3)Im(2)(DMAD)] complex, in which the adenine ligand is monodentate.