2-{1-[2-(4-(1-cyclohexenyl)phenyl)-4-methylthiazol-5-yl]-ethylidene}hydrazinecarboximidamide | 1537168-41-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-{1-[2-(4-(1-cyclohexenyl)phenyl)-4-methylthiazol-5-yl]-ethylidene}hydrazinecarboximidamide
• 英文别名: 2-{1-[2-(4-(1-cyclohexenyl)phenyl)-4-methylthiazol-5-yl]ethylidene}hydrazinecarboximidamide；2-[1-[2-[4-(Cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine；2-[1-[2-[4-(cyclohexen-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
• CAS: 1537168-41-4
• 化学式: C₁₉H₂₃N₅S
• 分子量: 353.491
• InChiKey: CLMIKDMOUKLWMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-iodobenzothioamide 在 palladium diacetate 、 三乙胺 、 lithium chloride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 2-{1-[2-(4-(1-cyclohexenyl)phenyl)-4-methylthiazol-5-yl]-ethylidene}hydrazinecarboximidamide
  参考文献：
  名称：

  Discovery and Characterization of Potent Thiazoles versus Methicillin- and Vancomycin-Resistant Staphylococcus aureus

  摘要：

  Methicillin- and vancomycin-resistant Staphylococcus aureus (MRSA and VRSA) infections are growing global health concerns. Structure-activity relationships of phenylthiazoles as a new antimicrobial class have been addressed. We present 10 thiazole derivatives that exhibit strong activity against 18 clinical strains of MRSA and VRSA with acceptable PK profile. Three derivatives revealed an advantage over vancomycin by rapidly eliminating MRSA growth within 6 h, and no derivatives are toxic to HeLa cells at 11 mu g/mL.

  DOI：

  10.1021/jm401905m