ZnBr₂(1,1′-(anthracen-9-ylmethylene)bis(1H-pyrazole)) | 1555898-95-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: ZnBr₂(1,1′-(anthracen-9-ylmethylene)bis(1H-pyrazole))
• 英文别名: ZINC;1-[anthracen-9-yl(pyrazol-1-yl)methyl]pyrazole;dibromide；zinc;1-[anthracen-9-yl(pyrazol-1-yl)methyl]pyrazole;dibromide
• CAS: 1555898-95-7
• 化学式: C₂₁H₁₆Br₂N₄Zn
• 分子量: 549.583
• InChiKey: UVKCUGHSIYZEOJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.51
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二-1H-吡唑-1-基甲酮 在 cobalt(II) chloride 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 3.0h， 生成 ZnBr₂(1,1′-(anthracen-9-ylmethylene)bis(1H-pyrazole))
  参考文献：
  名称：

  Synthesis, characterization, cytotoxicity and antibacterial activity of an anthracenyl-linked bis(pyrazolyl)methane ligand and its zinc(II) complexes

  摘要：

  Three novel Zn(II) complexes (1-3) with 1,1'-(anthracen-9-ylmethylene)bis(1H-pyrazole) (L-2) have been prepared and structurally characterized by X-ray crystallography. Among them, 1 is a binuclear Zn(II) complex while 2 and 3 are mononuclear. The in vitro cytotoxic and antibacterial activities of these complexes were also evaluated. The three complexes exhibit cytotoxic specificity and significant antitumor activity. The MIC50 value of complex 1 against Pseudomonas putida reaching 0.011 mu g/mL much lower than that the positive control chloromycin (0.182 mu g/mL), indicates that complex 1 is a potent antibacterial agent. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.10.064

文献信息

• Synthesis, characterization, cytotoxicity and antibacterial activity of an anthracenyl-linked bis(pyrazolyl)methane ligand and its zinc(II) complexes
  作者：Ban-Feng Ruan、Ying-Zhong Zhu、Wan-Ding Liu、Bao-An Song、Yu-Peng Tian

  DOI：10.1016/j.ejmech.2013.10.064

  日期：2014.1

  Three novel Zn(II) complexes (1-3) with 1,1'-(anthracen-9-ylmethylene)bis(1H-pyrazole) (L-2) have been prepared and structurally characterized by X-ray crystallography. Among them, 1 is a binuclear Zn(II) complex while 2 and 3 are mononuclear. The in vitro cytotoxic and antibacterial activities of these complexes were also evaluated. The three complexes exhibit cytotoxic specificity and significant antitumor activity. The MIC50 value of complex 1 against Pseudomonas putida reaching 0.011 mu g/mL much lower than that the positive control chloromycin (0.182 mu g/mL), indicates that complex 1 is a potent antibacterial agent. (C) 2013 Elsevier Masson SAS. All rights reserved.