4-Bromo-2-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol | 351444-25-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-Bromo-2-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
• CAS: 351444-25-2
• 化学式: C₁₆H₁₁BrClN₃OS
• 分子量: 408.706
• InChiKey: WIEAUAFCVFTMIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-bromosalicylaldehyde thiosemicarbazone 、 alkaline earth salt of/the/ methylsulfuric acid 以 异丙醇 为溶剂， 生成 4-Bromo-2-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel thiazole derivatives as potent FabH inhibitors

  摘要：

  Fatty acid biosynthesis is essential for bacterial survival. Components of this biosynthetic pathway have been identified as attractive targets for the development of new antibacterial agents. FabH, beta-ketoacylacyl carrier protein (ACP) synthase III, is a particularly attractive target, since it is central to the initiation of fatty acid biosynthesis and is highly conserved among Gram positive and negative bacteria. Three series of Schiff bases containing thiazole template were synthesized and developed as potent inhibitors of FabH. This inhibitor class demonstrates strong antibacterial activity. Escherichia coli FabH inhibitory assay and docking simulation indicated that the compounds 11 and 18 were potent inhibitors of E. coli FabH. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.111