Ethyl 1-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-YL]piperidine-3-carboxylate | 904585-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: Ethyl 1-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-YL]piperidine-3-carboxylate
• 英文别名: ethyl 1-[7-chloro-3-(4-ethylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-yl]piperidine-3-carboxylate
• CAS: 904585-97-3
• 化学式: C₂₅H₂₆ClN₅O₄S
• 分子量: 528.032
• InChiKey: PMTIMIVNFXXNQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5,7-dichloro-3-((4-ethylphenyl)sulfonyl)-[1,2,3]triazolo[1,5-a]quinazoline 、 3-哌啶甲酸乙酯 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 Ethyl 1-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-YL]piperidine-3-carboxylate
  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.