| 1415687-52-3

• CAS: 1415687-52-3
• 化学式: C₁₄H₁₂Cl₂N₅OZn
• 分子量: 402.578
• InChiKey: JDSPPEBIAZVBHK-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：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1H-1,2,4-三唑 、 1,10-菲罗啉 、 zinc(II) chloride 以 甲醇 为溶剂， 反应 2.0h， 以84%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of copper(II) and zinc(II)-based potential chemotherapeutic compounds: Their biological evaluation viz. DNA binding profile, cleavage and antimicrobial activity

  摘要：

  Metal-based cancer chemotherapeutic agents of the type [Cu(phen)TzCl(2)]H2O 1 and [Zn(phen)(Tz)Cl-2 center dot H2O] 2, where phen = 1,10-phenanthroline and Tz = 1,2,4-triazole have been synthesized and characterized by various spectroscopic and analytical techniques. The structure of complex 1 was also determined by X-ray crystallography. The in vitro DNA binding studies of complexes 1 and 2 with CT DNA were carried out by various biophysical and molecular docking techniques. Both the complexes cleave supercoiled pBR322 DNA via hydrolytic pathway, as validated by T4 DNA ligase assay. Furthermore, both complexes exhibited significant antimicrobial activity. The results revealed that complex 1 has better prospectus to act as cancer chemotherapeutic candidate which warrants further in vitro and in vivo anticancer investigations. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.09.051