1-[5-(3-Acetylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea | 1131410-38-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[5-(3-Acetylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea
• CAS: 1131410-38-2
• 化学式: C₂₂H₂₀N₆O₂
• 分子量: 400.44
• InChiKey: VXFCQEFJOIRURA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 3-吡啶硼酸 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， 生成 1-[5-(3-Acetylphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea
  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

文献信息

• DNA gyrase (GyrB)/topoisomerase IV (ParE) inhibitors: Synthesis and antibacterial activity
  作者：Stephen P. East、Clara Bantry White、Oliver Barker、Stephanie Barker、James Bennett、David Brown、E. Andrew Boyd、Christopher Brennan、Chandana Chowdhury、Ian Collins、Emmanuelle Convers-Reignier、Brian W. Dymock、Rowena Fletcher、David J. Haydon、Mihaly Gardiner、Stuart Hatcher、Peter Ingram、Paul Lancett、Paul Mortenson、Konstantinos Papadopoulos、Carol Smee、Helena B. Thomaides-Brears、Heather Tye、James Workman、Lloyd G. Czaplewski

  DOI：10.1016/j.bmcl.2008.11.102

  日期：2009.2

  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.