2,4-Dibromo-6-[(E)-cyclohexyliminomethyl]-phenol | 20099-02-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,4-Dibromo-6-[(E)-cyclohexyliminomethyl]-phenol
• 英文别名: 2,4-Dibromo-6-(cyclohexyliminomethyl)phenol
• CAS: 20099-02-9
• 化学式: C₁₃H₁₅Br₂NO
• 分子量: 361.076
• InChiKey: IPYZJBOAZPYEAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-二溴水杨醛 、 环己胺 以 甲醇 为溶剂， 生成 2,4-Dibromo-6-[(E)-cyclohexyliminomethyl]-phenol
  参考文献：
  名称：

  Synthesis, molecular docking and biological evaluation of Schiff base transition metal complexes as potential urease inhibitors

  摘要：

  Six transition metal compounds of Schiff base ligands were evaluated for the inhibitory activity on jack bean urease, of which compounds 2-6 were determined by single crystal X-ray analysis. It was found that copper(II) complexes 1 and 4 showed strong inhibitory activity against jack bean urease (IC50 = 0.52 and 0.46 mu M). compared with acetohydroxamic acid (IC50 = 42.12 mu M) as a positive reference Cobalt(II), nickel(II) and zinc(II) compounds also exhibited potent inhibitory activity (IC50 = 3.88-25.20 mu M). A docking analysis using the AUTODOCK 4.0 program could explain the inhibitory activities of 1 and 4 against urease. (C) 2010 Elsevier Masson SAS All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.07.007