N,N,N′,N′-m-xylylenediamine tetraacetic acid

• 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′-m-xylylenediamine tetraacetic acid
• 英文别名: N,N,N',N'-m-xylylenediamine tetraacetic acid；xyltaH4；2-[[3-[[Bis(carboxymethyl)amino]methyl]phenyl]methyl-(carboxymethyl)amino]acetic acid
• 化学式: C₁₆H₂₀N₂O₈
• 分子量: 368.343
• InChiKey: RQZVICARGUBJIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  156
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N,N,N′,N′-m-xylylenediamine tetraacetic acid 在 双氧水 、 溶剂黄146 作用下， 以 水 、 丙酮 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  一类具有高水合常数的核磁共振成像造影剂 及其制备方法

  摘要：

  本发明涉及一类具有高水合常数的核磁共振成像造影剂及其制备方法。所述的具有高水合常数的核磁共振成像造影剂是一类含有氮氧基团的钆(Ⅲ)配合物。用所述的钆(Ⅲ)配合物制备的核磁共振成像造影剂具有高的水合常数，较好的稳定性和高弛豫率。

  公开号：

  CN104740655B
• 作为产物：
  描述：

  间苯二甲胺 在 potassium carbonate 、 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 96.0h， 生成 N,N,N′,N′-m-xylylenediamine tetraacetic acid
  参考文献：
  名称：

  一类具有高水合常数的核磁共振成像造影剂 及其制备方法

  摘要：

  本发明涉及一类具有高水合常数的核磁共振成像造影剂及其制备方法。所述的具有高水合常数的核磁共振成像造影剂是一类含有氮氧基团的钆(Ⅲ)配合物。用所述的钆(Ⅲ)配合物制备的核磁共振成像造影剂具有高的水合常数，较好的稳定性和高弛豫率。

  公开号：

  CN104740655B

文献信息

• Regioselective hydroxylation of the xylyl linker in a diiron(<scp>iii</scp>) complex having a carboxylate-rich ligand with H₂O₂
  作者：Hideki Furutachi、Mizue Murayama、Amane Shiohara、Satoshi Yamazaki、Shuhei Fujinami、Akira Uehara、Masatatsu Suzuki、Seiji Ogo、Yoshihito Watanabe、Yonezo Maeda

  DOI：10.1039/b304171a

  日期：——

  Reaction of a diiron(III) complex having a xylta4- ligand (N,N,N',N'-m-xylylenediamine tetraacetate) with H2O2 resulted in regioselective hydroxylation of the m-xylyl linker. The reaction mimics the self-hydroxylation of a phenylalanine side chain found for ribonucleotide reductase (R2-W48F/D84E).

  具有xylta4-配体（N，N，N'，N'-间苯二甲撑二胺四乙酸酯）的二铁（III）配合物与H 2 O 2的反应导致间二甲苯基接头的区域选择性羟基化。该反应模拟了发现的核糖核苷酸还原酶（R2-W48F / D84E）的苯丙氨酸侧链的自我羟基化。
• 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.
• Synthesis, crystal structures and selective oxygenation of dinuclear copper(II) complexes of N,N,N′,N′-xylylenediamine tetraacetate
  作者：Yongmei Zhao、Shourong Zhu、Min Shao、Tiantian Jia、Mingxing Li、Wencong Lu、Weijiang He

  DOI：10.1016/j.inoche.2008.04.043

  日期：2008.8

  Two dinuclear copper(II) complexes, [Cu(2)L1 (imH)(2)(H2O)(2)] center dot 4H(2)O (1) and [CU(2)L(2)(imH)(2)(H2O)(2)] center dot 2H(2)O (2) (L1H(4)=N,N,N'-m-xylylenediamine tetraacetic acid, L2H(4)=N,N,N',N'-p-xylylenediamine tetraacetic acid, imH = imidazole), were synthesized aiming at exploring the geometry of the flexible ligands on their complex structures and reactions with H(2)O(2). In complex 1, both Cu(II) ions are five-coordinated with square-pyramidal geometry and water molecules occupy the apical position. The Cu... Cu distance is 5.344(7)angstrom. Complex 2 adopts the same coordination geometry as that in 1. The Cu center dot center dot center dot Cu distance is 7.812(5) angstrom. Complex 1 exhibits hydroxylation of the xylyl linker of the supporting ligand in the presence of H(2)O(2) in aqueous solution. No observable reaction took place under the identical conditions for complex 2. Proximity effect of the metal center is responsible for the hydroxylation. (c) 2008 Elsevier B.V. All rights reserved.
• 一类具有高水合常数的核磁共振成像造影剂 及其制备方法
  申请人：华东理工大学

  公开号：CN104740655B

  公开（公告）日：2018-01-19

  本发明涉及一类具有高水合常数的核磁共振成像造影剂及其制备方法。所述的具有高水合常数的核磁共振成像造影剂是一类含有氮氧基团的钆(Ⅲ)配合物。用所述的钆(Ⅲ)配合物制备的核磁共振成像造影剂具有高的水合常数，较好的稳定性和高弛豫率。