[Cd(μ3-1,4-phenylenediacetate)(μ-1,4-bis(imidazol-1-ylmethyl)benzene)]n | 1283145-34-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Cd(μ3-1,4-phenylenediacetate)(μ-1,4-bis(imidazol-1-ylmethyl)benzene)]n
• 英文别名: [Cd(μ₃-1,4-phenylenediacetate)(μ-1,4-bis(imidazol-1-ylmethyl)benzene)]_n；[Cd(II)(1,4-phenylenediacetate)(1,4-bis(imidazole-1-ylmethyl)benzene)]
• CAS: 1283145-34-5
• 化学式: C₁₀H₈O₄*C₁₄H₁₄N₄*Cd
• 分子量: 542.873
• InChiKey: LRLHDXZZQMKBNN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.45
• 重原子数：
  33.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  115.9
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 1,4-苯二乙酸 、 1,4-双[(1H-咪唑-1-基)甲基]苯 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 120.0h， 以32%的产率得到[Cd(μ3-1,4-phenylenediacetate)(μ-1,4-bis(imidazol-1-ylmethyl)benzene)]n
  参考文献：
  名称：

  Two mixed-ligand Cd(II)-coordination polymers: structural diversity and antitumor activity against human osteogenic sarcoma cells

  摘要：

  A systematic investigation into the reactions of Cd(NO3)(2)center dot 4H(2)O with o- and p-phenylenediacetic acid within the presence of the semi-rigid 1,4-bis(imidazol-1-ylmethyl)benzene (bimb) co-ligands under similar conditions was carried out. In this study, two novel coordination polymers containing Cd(II) ions as the metal ions {[Cd(mu-opda)(bimb)]center dot DMF}(n) (1, opda = 1,2-phenylenediacetate) and [Cd(mu-ppda)(bimb)(0.5)](n) (2, ppda & x202f;=& x202f;1,4-phenylenediacetate) have been prepared and structurally characterized. Furthermore, the inhibitory function of these two synthetic complexes on MG-63 human osteogenic sarcoma cells was evaluated with cell counting kit-8. And the Annexin V-FITC/PI apoptosis detection was performed to detect the induction ability of the complexes on the cancer cell apoptosis. Then, the western blot was performed to measure the activation level of the PTEN-AKT pathway.

  DOI：

  10.1080/24701556.2020.1727516

文献信息

• Positional isomeric effect of phenylenediacetate on the construction of mixed-ligand CdII coordination frameworks
  作者：Qiu-Fen He、Dong-Sheng Li、Jun Zhao、Xi-Jun Ke、Cai Li、Yi-Qiang Mou

  DOI：10.1016/j.inoche.2011.01.029

  日期：2011.4

  two types of flexible ligands, phenylenediacetate isomers (o/m/p-pda = 1,2/1,3/1,4-phenylenediacetate) and 1,4-bis(imidazol-1-ylmethyl)benzene (bix), have been hydrothermally synthesized and characterized. [Cd(o-pda)(bix)]n (1) and [Cd(m-pda)(bix)0.5(H2O)]n (2) have 2D coordination networks containing hetero-helical subunits, in which 1 features a (3,5)-connected (42.6)(42.67.8) topology, but 2 shows

  摘要 三种 CdII 配位聚合物融合了两种柔性配体，苯二乙酸酯异构体 (o/m/p-pda = 1,2/1,3/1,4-苯二乙酸酯) 和 1,4-双(咪唑-1-基甲基)苯（bix），已被水热合成和表征。[Cd(o-pda)(bix)]n (1) 和 [Cd(m-pda)(bix)0.5(H2O)]n (2) 具有包含异螺旋亚基的二维协调网络，其中 1 (3,5)-连接的 (42.6)(42.67.8) 拓扑，但 2 显示了具有 (42·6)(42·63·8) 拓扑的 (3,4)-连接的 V2O5 型网络。与 1 和 2 不同，[Cd(p-pda)(bix)]n (3) 显示出 5 倍互穿直径框架，表明 pda 中乙酸酯基团位置的结构导向作用。
• Zinc(II) and cadmium(II) coordination polymers containing phenylenediacetate and bis(imidazol-1-ylmethyl)benzene linkers: The effect of ligand isomers on the solid state structures
  作者：Güneş Günay Sezer、Okan Zafer Yeşilel、Onur Şahin、Andrew D. Burrows

  DOI：10.1016/j.jssc.2017.04.038

  日期：2017.8

  structurally characterized. Two of the complexes were found to possess one-dimensional (1D) structures, eleven complexes were found to be two-dimensional (2D) coordination networks and one of the complexes was found to be a three-dimensional (3D) coordination network. Of the 1D structures, 3 forms nanotubes, whereas in 8 pairs of pbix ligands bridge the zinc(II) centers to generate Zn2(pbix)2 dimers

  摘要 这项工作系统地研究了邻、间和对苯二乙酸与 Zn(II)/Cd(II) 盐在不同的半刚性 o-、m- 和 p-bis(咪唑-1-基甲基）苯共配体。十四种新型配位聚合物——[Zn(μ-opda)(μ-mbix)]·0.5 }n (1), [Zn(μ-mpda)(μ-obix)]·H2O}n (2), [Zn2(μ-mpda)2(μ-mbix)2]·5 }n (3), [Zn(μ-mpda)(μ-mbix)]·2 }n (4), [Zn( μ-mpda)(μ-pbix)]·0.5 }n (5), [Zn(μ-ppda)(μ-obix)]n (6), [Zn(μ-ppda)(μ-mbix) ]·0.5 }n (7), [Zn(μ-ppda)(μ-pbix)]· ·DMF}n (8), [Cd(μ-mpda)(μ-obix)1.5]· }n (9)