N,N,N′,N′,N″,N″-mesitylenetriamine hexaacetic acid | 352689-17-9

• 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: N,N,N′,N′,N″,N″-mesitylenetriamine hexaacetic acid
• 英文别名: 1,3,5-benzenemethyltriiminodiacetic acid；H6bmtac；2-[[3,5-Bis[[bis(carboxymethyl)amino]methyl]phenyl]methyl-(carboxymethyl)amino]acetic acid
• CAS: 352689-17-9
• 化学式: C₂₁H₂₇N₃O₁₂
• 分子量: 513.458
• InChiKey: JBTYCXFMCBMWGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.8
• 重原子数：
  36
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  234
• 氢给体数：
  6
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 N,N,N′,N′,N″,N″-mesitylenetriamine hexaacetic acid 以 甲醇 、 水 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Surface Recognition of a Protein Using Designed Transition Metal Complexes

  摘要：

  Each protein has a unique pattern of histidine residues on the surface. This paper describes the design, synthesis, and binding studies of transition metal complexes to target the surface histidine pattern of carbonic anhydrase (bovine erythrocyte). When the pattern of cupric ions on a complex matches the surface pattern of histidines of the protein, strong and selective binding can be achieved in aqueous buffer (pH = 7.0). The described method of protein recognition is applicable to proteins of known structures. With rapidly increasing number of solved protein structures, the method has wide applicability in purification, targeting, and sensing of proteins.

  DOI：

  10.1021/ja003193z
• 作为产物：
  描述：

  1,3,5-三(溴甲基)苯 在 lithium hydroxide 、 水 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 N,N,N′,N′,N″,N″-mesitylenetriamine hexaacetic acid
  参考文献：
  名称：

  使用过渡金属配合物选择性识别碳酸酐酶

  摘要：

  设计了一种金属络合物以在水性介质中与蛋白质碳酸酐酶强烈且选择性地结合。

  DOI：

  10.1039/a909001k

文献信息

• Selective recognition of carbonic anhydrase using transition metal complexes
  作者：Bidhan C. Roy、Md. Abul Fazal、Shuguang Sun、Sanku Mallik

  DOI：10.1039/a909001k

  日期：——

  A metal complex was designed to bind to the protein carbonic anhydrase strongly and selectively in aqueous medium.

  设计了一种金属络合物以在水性介质中与蛋白质碳酸酐酶强烈且选择性地结合。
• Novel hexanuclear zinc(II) complex of 1,3,5-benzenemethyltriiminodiacetate
  作者：Yongmei Zhao、Shourong Zhu、Min Shao、Xiang He、Mingxing Li、Wencong Lu

  DOI：10.1016/j.inoche.2007.12.007

  日期：2008.3

  A novel cyclic dimer of a trinuclear zinc complex, [Zn-3(bmtac)(H2O)(8)]center dot 6H(2)O}(2), with very long Zn-Zn distances, was synthesized in aqueous solution by adopting a new type of flexible multicarboxylate ligand, H(6)bmtac (H(6)bmtac = 1,3,5-benzenemethyltriiminodiacetic acid). The X-ray crystal structure of [Zn-3(bmtac)(H2O)(8)]center dot 6H(2)O](2) reveals that all Zn(II) ions are six-coordinated with octahedral geometry. The dimer as basic building units assembled into a three-dimensional supramolecular framework through the multiple intermolecular O-H center dot center dot center dot O hydrogen bonds interactions. The complex shows a blue fluorescent emission band at 428 nm as the result of the intraligand (pi-pi*) fluorescent emission. (C) 2008 Elsevier B.V. All rights reserved.
• Oxidative DNA cleavage promoted by polynuclear copper complexes bearing iminodiacetate chelator
  作者：Yongmei Zhao、Teng Gong、Zhen Yu、Shourong Zhu、Weijiang He、Tianjun Ni、Zijian Guo

  DOI：10.1016/j.ica.2013.01.008

  日期：2013.4

  The rigid-spaced polycopper(II) complexes of different benzyl polyiminodiacetic acid (IDA) ligands, Cu2L1 (complex 1, meta-dicopper complex), Cu2L2 (complex 2, para-dicopper complex) and Cu3L3 (complex 3) (H4L1, N,N,N',N'-m-xylylenediamine tetraacetic acid; H4L2, N,N,N',N'-p-xylylenediamine tetraacetic acid; H6L3, N,N,N',N',N '',N ''-mesitylenetriamine hexaacetic acid) were prepared to explore the chelator's role in determining the DNA cleavage behavior of polycopper complexes by comparing these complexes of IDA chelator with their analogues of bis(2-pyridylmethyl)amine (BPA) chelator. PolyCu(IDA) complexes 1-3 show the synergic effect between copper(II) centers. Their DNA cleavage activity follows an order of 3 > 1 > 2, which is consistent with their DNA binding abilities. However, this consistence was not observed in the case of polyCu(BPA) complexes according to our previous study. In addition, both the DNA binding ability and cleavage efficiency of polyCu(IDA) complexes are distinctly lower than those of polyCu(BPA) complexes. Furthermore, both the meta-and para-dicopper complexes are able to mediate linear DNA from supercoiled DNA at high complex concentration for polyCu(IDA) complexes, while for their analogues with BPA chelators, only the meta-dicopper analogue could induce the linear DNA from supercoiled DNA. These results suggested that the replacement of BPA chelator with the anionic IDA chelator alters distinctly the DNA cleavage behavior of rigid-spaced polycopper complexes. (C) 2013 Elsevier B.V. All rights reserved.
• Surface Recognition of a Protein Using Designed Transition Metal Complexes
  作者：Md. Abul Fazal、Bidhan C. Roy、Shuguang Sun、Sanku Mallik、Kenton R. Rodgers

  DOI：10.1021/ja003193z

  日期：2001.7.1

  Each protein has a unique pattern of histidine residues on the surface. This paper describes the design, synthesis, and binding studies of transition metal complexes to target the surface histidine pattern of carbonic anhydrase (bovine erythrocyte). When the pattern of cupric ions on a complex matches the surface pattern of histidines of the protein, strong and selective binding can be achieved in aqueous buffer (pH = 7.0). The described method of protein recognition is applicable to proteins of known structures. With rapidly increasing number of solved protein structures, the method has wide applicability in purification, targeting, and sensing of proteins.