[Ni(5,6:13,14-dibenzo-9,10.cyclohexano-7,12-bis(ethoxy-carbonyl)-2,3-dioxo-1,4,8,11-tetraazacyclotetradeca-7,11-diene(2-)] | 949464-81-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [Ni(5,6:13,14-dibenzo-9,10.cyclohexano-7,12-bis(ethoxy-carbonyl)-2,3-dioxo-1,4,8,11-tetraazacyclotetradeca-7,11-diene(2-)]
• CAS: 949464-81-7
• 化学式: C₂₈H₂₈N₄NiO₆
• 分子量: 575.244
• InChiKey: XLDQSVAKUYYUBL-UHFFFAOYSA-L

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：

  甲醇 、 [Ni(5,6:13,14-dibenzo-9,10.cyclohexano-7,12-bis(ethoxy-carbonyl)-2,3-dioxo-1,4,8,11-tetraazacyclotetradeca-7,11-diene(2-)] 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  DNA cleavage activities of tetraazamacrocyclic oxamido nickel(II) complexes

  摘要：

  The DNA cleavage activities of nickel(II) ion and four closely related macrocyclic nickel(II) complexes NiL1 similar to NiL4 in the absence of any added redox cofactors are compared and the structure of NiL3 methanol solvate has been characterized by single crystal X-ray analysis, where L-1 similar to L-4 are the dianions of tetraazamacrocyclic oxamido Schiff bases. In NiL3 center dot MeOH, the macrocyclic [N-4] ligand coordinates to the central Ni(II) ion forming a distorted square-planar geometry. The adjacent mononuclear molecules are linked by O-H center dot center dot center dot O hydrogen bonds and Ni center dot center dot center dot O and Ni center dot center dot center dot L van der Waals forces into 2D supramolecular structure. Agarose gel electrophoresis studies indicate that the ability of these nickel(II) complexes to cleave DNA is highly dependent upon the ligand employed. In the absence of any added oxidizing agents, only NiL3 is a relatively good DNA cleavage agent, and the process of plasmid DNA cleavage is much sensitive to ionic strength and pH value. The NiL3-mediated DNA cleavage reaction is a typical pseudo-first-order consecutive reaction, and the rate constants of 0.148 +/- 0.007 h(-1) (k(1)) and 0.0118 +/- 0.0018 h(-1) (k(2)) for the conversion of supercoiled to nicked DNA and nicked to linear DNA are obtained in presence of 0.5 mmol L-1 NiL3. The results of DNA cleavage experiments, combining with those of circular dichroism (CD) and fluorescence spectroscopy indicate that the main binding modes between DNA and the complexes should be groove binding and electrostatic interaction. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.07.021

文献信息

• Synthesis, Crystal Structure, and Characterization of Two Oxamido-bridged NiIICuIINiII Heteronuclear Complexes
  作者：Li-Na Zhu、Na Xu、Yan Ou-Yang、Dai-Zheng Liao、Zong-Hui Jiang、Shi-Ping Yan、Peng Cheng

  DOI：10.1002/zaac.200600166

  日期：2006.11

  and characterized by single crystal X-ray analysis, elemental analysis, IR, UV and EPR spectroscopies. The complexes consist of NiIICuIINiII heteronuclear cationic entities. The central CuII atom of 1 lies in an octahedral coordination environment, while that of 2 resides in a square-pyramidal coordination sphere. The adjacent trinuclear units of 1 are linked together through π-π stacking interactions

  两种新的三核配合物 [CuII (NiIIIX1) 2 (C2H5OH) 2] · (ClO4) 2 · 2 (CH3OH) (1) 和 [CuII (NiIIIX2) 2 (H2O)] · ( ) 2 · 0.75 ( ) ( 2) (X1 = 5,6 的二价阴离子；13,14-dibenzo-7,12-bis (ethoxycarboxyl) -9-methyl-2,3-dioxo-1,4,8,11-tetraazacyclotetradeca-7,11- X2 = 5,6 的二价阴离子；13,14-dibenzo-9,10-cyclohexano-7,12-bis (ethoxycarboxyl) -2,3-dioxo-1,4,8,11-tetraazacyclotetradeca7,11-diene .)已经合成并通过单晶 X 射线分析、元素分析、IR、UV 和 EPR 光谱表征。复合物由