sodium[copper(II)(N-(2-aminoethyl)-N'-(2-carboxylatophenyl)oxamidate(3-))] | 639462-01-4

• 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: sodium[copper(II)(N-(2-aminoethyl)-N'-(2-carboxylatophenyl)oxamidate(3-))]
• 英文别名: Na[Cu(oxbe)]；copper;sodium;2-[2-(2-aminoethylazanidyl)-2-oxoacetyl]azanidylbenzoate
• CAS: 639462-01-4
• 化学式: C₁₁H₁₀CuN₃O₄*Na
• 分子量: 334.754
• InChiKey: AVKRBZTWCYIONT-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：
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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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  2,2'-二氨基-4,4'-双噻唑 、 Cu(pic)₂⋅6H₂O 、 sodium[copper(II)(N-(2-aminoethyl)-N'-(2-carboxylatophenyl)oxamidate(3-))] 以 甲醇 、 水 为溶剂， 以69%的产率得到[μ3-cis-N-(2-aminoethyl)-N'-(2-carboxylatophenyl)oxamidato(3-)]bis(2,2'-diamino-4,4'-bi-1,3-thiazole)tetracopper(II) bis(2,4,6-trinitrophenolate)
  参考文献：
  名称：

  [μ₃-cis-N-(2-Aminoethyl)-N′-(2-carboxylatophenyl)oxamidato(3−)]bis(2,2′-diamino-4,4′-bi-1,3-thiazole)tetracopper(II) bis(2,4,6-trinitrophenolate)

  摘要：

  The title complex, [Cu-4(C11H10N3O4)(2)(C6H6N4S2)(2)](C6H2N3O7)(2), consists of a circular tetracopper(II) cation with an embedded inversion centre and two uncoordinated picrate (2,4,6-trinitrophenolate) anions. The CuII cations at the inner sites of N-(2-aminoethyl)-N'-(2-carboxylatophenyl)oxamidate(3-) (oxbe) have square-planar environments and those at the outer sites are in square-pyramidal geometries. The separations of pairs of CuII cations bridged by cis-oxamide and carboxylate groups are 5.2217 (5) and 5.2871 (5) A, respectively. The tetracopper(II) cations and picrate anions are connected by N-H...O hydrogen bonds into a two-dimensional network parallel to the (010) plane, and these two-dimensional networks are assembled by two types of pi-pi stacking interactions into a three-dimensional supramolecular structure.

  DOI：

  10.1107/s0108270110026491

文献信息

• Synthesis, structure, cytotoxic activities and DNA-binding properties of tetracopper(II) complexes with dissymmetrical N,N′-bis(substituted)oxamides as ligands
  作者：Xiao-Wen Li、Yu Yu、Yan-Tuan Li、Zhi-Yong Wu、Cui-Wei Yan

  DOI：10.1016/j.ica.2010.11.047

  日期：2011.2

  To compare the cytotoxicities and the DNA-binding properties in tetranuclear complexes with different bridging ligands, two tetracopper(II) complexes with formulae of [Cu-4(oxbe)(2)Cl-2(bpy)(2)]center dot 4H(2)O (1) and [Cu-4(oxbm)(2)Cl-2(bpy)(2)]center dot 2H(2)O (2) were synthesized, where H(3)oxbe and H(3)oxbm stand for N-benzoato-N'-(2-aminoethyl)oxamide and N-benzoato-N'-(1,2-propanediamine)oxamide, respectively, and bpy is 2,2'-bipyridine. Complex 1 was characterized by elemental analyses, IR and electronic spectra and single-crystal X-ray diffraction. The crystal structure reveals the presence of the circular tetranuclear copper(II) cations which are assembled by a pair of cis-oxamido-bridged dinuclear copper(II) units through carboxyl bridges. The crystal structure of complex 2 has been reported in our previous paper. However, the bioactivities were not studied. Cytotoxicities experiments reveal that both the two complexes exhibit cytotoxic effects against human hepatocellular carcinoma cell SMMC-7721 and human lung adenocarcinoma cell A549, and complex 1 has the better activities than those of complex 2. The results of the interactions between the two complexes and herring sperm DNA (HS-DNA) suggest that the two complexes interact with HS-DNA in the mode of intercalation with the intrinsic binding constants of 3.93 x 10(4) M-1 (1) and 2.48 x 10(4) M-1 (2). These results indicated that the bridging ligands may play an important role in the cytotoxicities and the DNA-binding properties of tetranuclear complexes. (C) 2010 Elsevier B.V. All rights reserved.