[Ni2(OAc)3(urea)(N,N,N',N'-tetramethylethylenediamine)2][OTf] | 150939-80-3

• 英文名称: [Ni2(OAc)3(urea)(N,N,N',N'-tetramethylethylenediamine)2][OTf]
• 英文别名: [Ni2(urea)(OAc)3(N,N,N',N'-tetramethylethylenediamine)2][OTf]
• CAS: 150939-80-3
• 化学式: CF₃O₃S*C₁₉H₄₅N₆Ni₂O₇
• 分子量: 736.053
• InChiKey: UPVYAKOIURSKKY-UHFFFAOYSA-J

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：

  甘氨酸氧肟酸 、 [Ni2(OAc)3(urea)(N,N,N',N'-tetramethylethylenediamine)2][OTf] 以 二氯甲烷 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Hydroxamate-Bridged Dinuclear Nickel Complexes as Models for Urease Inhibition

  摘要：

  Facile reaction of the model urease complex [Ni-2(OAc)(3)(urea)(tmen)(2)] [OTf] (A) with acetohydroxamic acid (AHA) gives the monobridged hydroxamate complex (I) [Ni-2(OAc)(2)(AA)(urea)(tmen)(2)] [OTf] with a Ni-Ni distance of 3.434(1) Angstrom compared to that of 3.5 Angstrom in urease (OAc, CH3COO-; tmen, N,N,N',N'-tetramethylethylenediamine; OTf, CF3SO3; AHA, acetohydroxamic acid; AA, acetohydroxamate anion). I is a close model of one proposed mode of urease inhibition by hydroxamic acids, recently observed in the acetohydroxamate-inhibited C319A variant of Klebsiella aerogenes urease. Reaction of [Ni-2(OH2) (OAc)(4)(tmen)(2)] (B) with AHA gives the dibridged hydroxamate complex (II) [Ni-2(OAc)(AA)(2)(tmen)(2)] [OAc] with a Ni-Ni distance of 3.005(1) Angstrom. Infrared spectroscopic studies provide evidence for the bridging acetate groups undergoing carboxylate shifts thereby assisting replacement of acetate by hydroxamate. Both I and II show ferromagnetic exchange coupling.

  DOI：

  10.1021/ic9711628

文献信息

• Structural variations in dinuclear model hydrolases and hydroxamate inhibitor models: synthetic, spectroscopic and structural studies
  作者：D.A. Brown、W.K. Glass、N.J. Fitzpatrick、T.J. Kemp、W. Errington、G.J. Clarkson、W. Haase、F. Karsten、A.H. Mahdy

  DOI：10.1016/j.ica.2003.08.021

  日期：2004.3

  Reactions of the structural model hydrolases [M2(OAc)4(H2O)(Im)4]; M=Mn (E′); M=Co (D′); M=Ni (B′) and [M2(OPiv)4(H2O)(tmen)2]; M=Mn (E″); M=Co (D″); M=Ni (B″) with a number of hydroxamic acids, RHA (aceto- (R=CH3), benzo- (R = C6H5) and N-phenylacetohydroxamic acid (NPhAHA)) gave a series of hydroxamate dibridged complexes [M2(OAc)(RA)2(Im)4][OTf] and [M2(OPiv)(RA)2(tmen)2][OTf]; M=Co, Ni, in which the bridging

  结构模型水解酶[M2（OAc）4（H2O）（Im）4]的反应；M = Mn（E'）; M = Co（D'）; M ＝ Ni（B′）和[M2（OPiv）4（ ）（tmen）2]；M ＝ Mn（E″）；M ＝ Co（D″）；M = Ni（B''）与许多异羟肟酸，RHA（乙酰-（R = CH3），苯并-（R = C6H5）和N-苯基乙酰异羟肟酸（NPhAHA））给出了一系列异羟肟酸酯双桥配合物[M2（ OAc）（RA）2（Im）4] [OTf]和[M2（OPiv）（RA）2（tmen）2] [OTf]；M ＝ Co，Ni，其中桥接的异羟肟酸酯显示出新颖的键合模式，其中去质子化的异羟肟酸酯羟基仅桥接两个金属中心。由NPhAHA形成的这种类型的结构是涉及仲异羟肟酸的第一个实例。这些复合物是产气克雷伯菌脲酶（KAU）的乙酰氧肟酸抑制的C319A变体的良好结构模型，其结构与先前报道的含有tmen封端