1-(7-chloro-5-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethyl-urea | 1131410-24-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并吡啶类
• 英文名称: 1-(7-chloro-5-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethyl-urea
• CAS: 1131410-24-6
• 化学式: C₉H₉ClIN₅O
• 分子量: 365.561
• InChiKey: WUAALTMAKWTIQM-UHFFFAOYSA-N

物化性质

• 密度：
  2.10±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.13
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  71.32
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(7-chloro-5-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethyl-urea 、 1-甲基-1H-吡唑-4-硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium phosphate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 以60%的产率得到C₁₃H₁₄ClN₇O
  参考文献：
  名称：

  DNA gyrase (GyrB)/topoisomerase IV (ParE) inhibitors: Synthesis and antibacterial activity

  摘要：

  The synthesis and antibacterial activities of three chemotypes of DNA supercoiling inhibitors based on imidazolo[1,2-a]pyridine and [1,2,4]triazolo[1,5-a]pyridine scaffolds that target the ATPase subunits of DNA gyrase and topoisomerase IV (GyrB/ParE) is reported. The most potent scaffold was selected for optimization leading to a series with potent Gram-positive antibacterial activity and a low resistance frequency. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.102
• 作为产物：
  描述：

  1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethyl-urea 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 为溶剂， 反应 3.08h， 以52%的产率得到1-(7-chloro-5-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-ethyl-urea
  参考文献：
  名称：

  DNA gyrase (GyrB)/topoisomerase IV (ParE) inhibitors: Synthesis and antibacterial activity

  摘要：

  The synthesis and antibacterial activities of three chemotypes of DNA supercoiling inhibitors based on imidazolo[1,2-a]pyridine and [1,2,4]triazolo[1,5-a]pyridine scaffolds that target the ATPase subunits of DNA gyrase and topoisomerase IV (GyrB/ParE) is reported. The most potent scaffold was selected for optimization leading to a series with potent Gram-positive antibacterial activity and a low resistance frequency. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.102