Ru{N'-(2-hydroxyethyl)ethylenediamine-N,N,N'-triacetate}(H2O) | 118170-06-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Ru{N'-(2-hydroxyethyl)ethylenediamine-N,N,N'-triacetate}(H2O)
• 英文别名: [Ru(hedtra)(H2O)]；[Ru(N-hydroxyethylenediaminetriacetate)(H2O)]；[Ru(N-hydroxyethylethylenediaminetriacetate)(H2O)]；[ruthenium(III)(N-hydroxyethylethylenediaminetriacetate)(H2O)]
• CAS: 118170-06-2
• 化学式: C₁₀H₁₇N₂O₈Ru
• 分子量: 394.324
• InChiKey: WCSXJADOSOBZEM-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Ru{N'-(2-hydroxyethyl)ethylenediamine-N,N,N'-triacetate}(H2O) 在 吡啶 作用下， 以 水 为溶剂， 生成 Ru{N'-(2-hydroxyethyl)ethylenediamine-N,N,N'-triacetate}(pyridine)
  参考文献：
  名称：

  稳定的钌 (III) 配合物的配体取代反应动力学，[Ru{N'-(2-羟乙基)乙二胺-N,N,N'-三乙酸酯}(H2O)]

  摘要：

  [N'-(2-羟乙基)乙二胺-N,N,N'-三乙酰基]-aquaruthenium(III), [Ru(hedtra)(H2O)]与X (Br−, CH3CN)的取代反应动力学、SCN- 和吡啶) 得到 [RuX(hedtra)] 在 25 °C 和 I = 0.5 mol dm-3 下进行。发现取代反应异常迅速。正反应 (kf) 和逆反应 (kb) 的速率常数为 kf=0.13±0.01 mol−1 dm3 s−1 和 kb=(1.9±0.2)×10−2 s−1 Br−, kf=0.48±0.02 mol−1 dm3 s−1 和 kb=(3.0±0.2)×10−2 s−1 与 CH3CN 反应，kf=7.5±0.2 mol−1 dm3 s−1 和kb=(1.3±0.8)×10-2 s-1 分别表示与SCN-的反应。[Ru(hedtra)(H2O)]与py的反应动力学作为pH的函数进行研究

  DOI：

  10.1246/bcsj.63.1370
• 作为产物：
  描述：

  Na{RuCl(N'-(2-hydroxyethyl)ethylenediamine-N,N,N'-triacetate)}*H2O 在 水 作用下， 以 水 为溶剂， 生成 Ru{N'-(2-hydroxyethyl)ethylenediamine-N,N,N'-triacetate}(H2O)
  参考文献：
  名称：

  稳定的钌 (III) 配合物的配体取代反应动力学，[Ru{N'-(2-羟乙基)乙二胺-N,N,N'-三乙酸酯}(H2O)]

  摘要：

  [N'-(2-羟乙基)乙二胺-N,N,N'-三乙酰基]-aquaruthenium(III), [Ru(hedtra)(H2O)]与X (Br−, CH3CN)的取代反应动力学、SCN- 和吡啶) 得到 [RuX(hedtra)] 在 25 °C 和 I = 0.5 mol dm-3 下进行。发现取代反应异常迅速。正反应 (kf) 和逆反应 (kb) 的速率常数为 kf=0.13±0.01 mol−1 dm3 s−1 和 kb=(1.9±0.2)×10−2 s−1 Br−, kf=0.48±0.02 mol−1 dm3 s−1 和 kb=(3.0±0.2)×10−2 s−1 与 CH3CN 反应，kf=7.5±0.2 mol−1 dm3 s−1 和kb=(1.3±0.8)×10-2 s-1 分别表示与SCN-的反应。[Ru(hedtra)(H2O)]与py的反应动力学作为pH的函数进行研究

  DOI：

  10.1246/bcsj.63.1370

文献信息

• Redox Reactions of a [Ru ^III (hedtra)(pz)] Complex with Biochemically Important Reductants: Kinetic, Mechanistic and Antimicrobial Studies
  作者：Debabrata Chatterjee、Sarita Ghosh、Ujjwal Pal、Sudit Mukhopadhyay

  DOI：10.1002/ejic.201100969

  日期：2012.2

  [RuIII(hedtra)(pz)] (hedtra3– = N-hydroxyethylethylenediaminetriacetate; pz = pyrazine) by biologically important reducing agents, Red (Red = L-ascorbic acid, catechol and cysteine), resulting in the formation of the corresponding red-coloured ruthenium(II) complex has been studied spectrophotometrically using both conventional mixing and stopped-flow techniques. The time course of the reaction was followed

  [RuIII(hedtra)(pz)]（hedtra3– = N-羟乙基乙二胺三乙酸酯；pz = 吡嗪）被生物学上重要的还原剂 Red（红色 = L-抗坏血酸、儿茶酚和半胱氨酸）还原的动力学，导致已经使用常规混合和停流技术通过分光光度法研究了相应红色钌 (II) 配合物的形成。反应的时间进程作为 [Red]、pH 和温度的函数进行跟踪。发现碱金属离子对反应速率的影响不显着。动力学数据和活化参数根据外球电子转移机制进行解释，并参考相应 RuIII-edta（edta4- = 乙二胺四乙酸酯）复合物报告的数据进行讨论。已经探索了[RuIII(hedtra)(pz)]复合物在抑制生长方面的抗菌活性。在有氧条件下，在半胱氨酸存在下，[RuIII(hedtra)(pz)] 复合物对细菌染色体 DNA 的切割已经讨论了生物学研究的结果。
• Reactivity of [RuIII(pac)(H2O)] (pac=polyaminocarboxylate) complexes with 5′-nucleotides and their antitumor activity
  作者：Debabrata Chatterjee、Ayon Sengupta、Anannya Mitra、Susan Basak

  DOI：10.1016/j.ica.2004.09.053

  日期：2005.6

  The reaction of [Ru-III(edta)(H2O)](-) (edta(4-) = ethylenediaminetetriiacetate) and [Ru-III(hedtra)(H2O)] (hedtra(3) = N-hydroxyethylethylenediaminetriacetate) with various purine based 5'-nucleotides (Nu) viz. adenosin-5'-monophosphate (AMP), guanosin-5'-monophosphate (GMP), inosin-5'-monophosphate (IMP) was studied kinetically as a function of [Nu] at various temperatures (15-35 degrees C) at a fixed pH (4.5). Kinetic results suggest that the binding of 5'-nucleotides takes place in a rapid [Nu] dependent rate-determining step. Kinetic data and activation parameters are accounted for the operation of an associative mechanism. The antitumor activities of both [Ru-III(edta)(H2O](-) (1) and [Ru-III(hedtra)(H2O] (2) have been evaluated using MCF-7 (breast cancer), NCI-H460 (lung cancer) and SF-268 (CNS) cell lines. (c) 2004 Published by Elsevier B.V.
• Bajaj; Van Eldik, Inorganic Chemistry, 1989, vol. 28, # 10, p. 1980 - 1983
  作者：Bajaj、Van Eldik

  DOI：——

  日期：——
• Reactivity of [RuIII(hedtra)(H2O)] with thio-amino acids and protease inhibition
  作者：Debabrata Chatterjee、Ayon Sengupta、Anannya Mitra、Susan Basak、Reema Bhattacharya、Debasish Bhattacharyya

  DOI：10.1016/j.ica.2004.07.047

  日期：2005.6

  Reaction of [Ru-III(hedtra)(H2O)] (hedtra = N-hydroxyethylethylenediaminetriacetate) with thio-amino acids, L (L = cysteine, N-acetyleysteine, glutathione and penicilamine), was studied kinetically. Kinetic studies were performed at different concentrations of reactants, pH and temperature. Based on the kinetic results, it is suggested that the formation of S-bound substituted product takes place in a rapid ligand dependent rate determining step. Kinetic data and activation parameters are accounted for operation of an associative mechanism and discussed in reference to the data reported earlier for edta(4-) (ethylenediaminetetraacetate) complex of ruthenium(III). Results of cysteine protease inhibition studies revealed that inhibition activities of Ru pac complexes are enzyme specific. (c) 2004 Published by Elsevier B.V.
• Taqui Khan, M. M.; Mioz, M. A.; Bhatt, S. D., Journal of Molecular Catalysis, 1991, vol. 67, p. 1 - 6
  作者：Taqui Khan, M. M.、Mioz, M. A.、Bhatt, S. D.、Merchant, R. R.、Chatterjee, Debarata

  DOI：——

  日期：——