[Ph₃P(Ph)]⁺[trans-RuCl₄(Dmso)₂]^- | 952093-47-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Ph₃P(Ph)]⁺[trans-RuCl₄(Dmso)₂]^-
• 英文别名: [Ph₃P(Ph)][trans-bis(dimethylsulfoxide)tetrachlororuthenate]；[tetraphenylphosphonium]trans-[Ru(dimethylsulfoxide)2Cl4]；[tetraphenylphosphonium][trans-RuCl4(DMSO)2]；Methylsulfinylmethane;tetrachlororuthenium(1-);tetraphenylphosphanium
• CAS: 952093-47-9
• 化学式: C₄H₁₂Cl₄O₂RuS₂*C₂₄H₂₀P
• 分子量: 738.549
• InChiKey: SKPGIGVSSIAGLG-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  7.05
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  72.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  嘧啶 、 [Ph₃P(Ph)]⁺[trans-RuCl₄(Dmso)₂]^- 以 二氯甲烷 、 丙酮 为溶剂， 以67%的产率得到[tetraphenylphosphonium]trans-[RuCl4(dimethylsulfoxide)(pyrimidine)]
  参考文献：
  名称：

  Synthesis and characterization of ionic Ru(III) complexes containing dimethylsulfoxide and dinitrogen heterocyclic ligands

  摘要：

  Several new Ru(III) DMSO compounds including [PPh4]trans-[Ru(DMSO)(2)Cl-4], [PPh4]trans-[Ru(DMSO)(pyrazine)Cl-4] (2), [PPh4]trans-[Ru(DMSO)(4,4'-bipyridine)Cl-4] and [PPh4]trans-[Ru(DMSO)(pyrimidine)Cl-4] were reported and characterized. The crystal structure of 2 and its Na+ analogue were determined by X-ray diffraction methods. The PPh4+ complex 2 is a discrete ionic compound, while the compound [Na]trans-[Ru(DMSO)(pyrazine)Cl-4]center dot DMSO (3) crystallized with a molecule of DMSO. The environment around the Na atom is a distorted octahedron with short contacts with three chloro ligands, two O atoms from the bonded and unbonded DMSO molecules, and the unbonded N atom of the pyrazine ligand. The Na atoms form bridges between the complexed anions in 3 resulting in the formation of infinite chains or ribbons parallel to the b axis. The chains are held together by van der Waals interactions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.03.041
• 作为产物：
  描述：

  [(DMSO)₂H][trans-Ru(DMSO)₂Cl₄] 、 四苯基氯化膦 以 not given 为溶剂， 生成 [Ph₃P(Ph)]⁺[trans-RuCl₄(Dmso)₂]^-
  参考文献：
  名称：

  Synthesis, Characterization, and in Vitro Evaluation of a Potentially Selective Anticancer, Mixed-Metal [Ruthenium(III)−Platinum(II)] Trinuclear Complex

  摘要：

  A new type of mixed-metal trinuclear complex containing platinum(II) and ruthenium(III) fragments that resemble both cisplatin and NAMI-A has been synthesized and characterized by IR, H-1 NMR, elemental analysis, and X-ray crystallography. The water-soluble compound Na-2{trans,cis,trans-[(RuCl4)-Cl-III(DMSO-S)(mu-pyz)](2)(PtCl2)-Cl-II} (AH-197, pyz = pyrazine) was assessed for its effects on DNA mobility and toxicity against human cancer cell lines. When compared to cisplatin and KP-1019 (which structurally resembles NAMI-A), IC50 results showed that AH-197 had an intermediate toxicity. When this data was coupled with a subsequent COMPARE evaluation (standard COMPARE queries resulted in insignificant correlation coefficients (<0.70) while very low COMPARE correlation coefficients were found in the matrix queries as well), AH-197 yielded a correlation coefficient of 0.19 when compared to cisplatin and 0.25 when compared to KP1019 indicating that AH-197 has a unique behavior.

  DOI：

  10.1021/ic062419h

文献信息

• Synthesis and characterization of ionic Ru(III) complexes containing dimethylsulfoxide and dinitrogen heterocyclic ligands
  作者：Craig M. Anderson、Amnon Herman、Fernande D. Rochon

  DOI：10.1016/j.poly.2007.03.041

  日期：2007.8

  Several new Ru(III) DMSO compounds including [PPh4]trans-[Ru(DMSO)(2)Cl-4], [PPh4]trans-[Ru(DMSO)(pyrazine)Cl-4] (2), [PPh4]trans-[Ru(DMSO)(4,4'-bipyridine)Cl-4] and [PPh4]trans-[Ru(DMSO)(pyrimidine)Cl-4] were reported and characterized. The crystal structure of 2 and its Na+ analogue were determined by X-ray diffraction methods. The PPh4+ complex 2 is a discrete ionic compound, while the compound [Na]trans-[Ru(DMSO)(pyrazine)Cl-4]center dot DMSO (3) crystallized with a molecule of DMSO. The environment around the Na atom is a distorted octahedron with short contacts with three chloro ligands, two O atoms from the bonded and unbonded DMSO molecules, and the unbonded N atom of the pyrazine ligand. The Na atoms form bridges between the complexed anions in 3 resulting in the formation of infinite chains or ribbons parallel to the b axis. The chains are held together by van der Waals interactions. (c) 2007 Elsevier Ltd. All rights reserved.
• Synthesis, Characterization, and in Vitro Evaluation of a Potentially Selective Anticancer, Mixed-Metal [Ruthenium(III)−Platinum(II)] Trinuclear Complex
  作者：Amnon Herman、Joseph M. Tanski、Michael F. Tibbetts、Craig M. Anderson

  DOI：10.1021/ic062419h

  日期：2008.1.1

  A new type of mixed-metal trinuclear complex containing platinum(II) and ruthenium(III) fragments that resemble both cisplatin and NAMI-A has been synthesized and characterized by IR, H-1 NMR, elemental analysis, and X-ray crystallography. The water-soluble compound Na-2trans,cis,trans-[(RuCl4)-Cl-III(DMSO-S)(mu-pyz)](2)(PtCl2)-Cl-II} (AH-197, pyz = pyrazine) was assessed for its effects on DNA mobility and toxicity against human cancer cell lines. When compared to cisplatin and KP-1019 (which structurally resembles NAMI-A), IC50 results showed that AH-197 had an intermediate toxicity. When this data was coupled with a subsequent COMPARE evaluation (standard COMPARE queries resulted in insignificant correlation coefficients (<0.70) while very low COMPARE correlation coefficients were found in the matrix queries as well), AH-197 yielded a correlation coefficient of 0.19 when compared to cisplatin and 0.25 when compared to KP1019 indicating that AH-197 has a unique behavior.