7-Chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazoline | 893786-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-Chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
• 英文别名: 3-(benzenesulfonyl)-7-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]triazolo[1,5-a]quinazoline
• CAS: 893786-71-5
• 化学式: C₂₆H₂₃ClN₆O₃S
• mdl: MFCD08568898
• 分子量: 535.026
• InChiKey: IHKZIWWHVBFGDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(2-甲氧苯基)哌嗪 、 5,7-dichloro-3-(phenylsulfonyl)-[1,2,3]triazolo[1,5-a]quinazoline 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 7-Chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
  参考文献：
  名称：

  Development of improved inhibitors of wall teichoic acid biosynthesis with potent activity against Staphylococcus aureus

  摘要：

  A small molecule (1835F03) that inhibits Staphylococcus aureus wall teichoic acid biosynthesis, a proposed antibiotic target, has been discovered. Rapid, parallel, solution-phase synthesis was employed to generate a focused library of analogs, providing detailed information about structure-activity relationships and leading to the identification of targocil, a potent antibiotic. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.036

文献信息

• Development of improved inhibitors of wall teichoic acid biosynthesis with potent activity against Staphylococcus aureus
  作者：Kyungae Lee、Jennifer Campbell、Jonathan G. Swoboda、Gregory D. Cuny、Suzanne Walker

  DOI：10.1016/j.bmcl.2010.01.036

  日期：2010.3

  A small molecule (1835F03) that inhibits Staphylococcus aureus wall teichoic acid biosynthesis, a proposed antibiotic target, has been discovered. Rapid, parallel, solution-phase synthesis was employed to generate a focused library of analogs, providing detailed information about structure-activity relationships and leading to the identification of targocil, a potent antibiotic. (C) 2010 Elsevier Ltd. All rights reserved.