INP1860 | 1378240-56-2

• 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: INP1860
• 英文别名: 7-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
• CAS: 1378240-56-2
• 化学式: C₂₀H₂₀FN₃O
• 分子量: 337.397
• InChiKey: OYUMPBPELXJTKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  8-羟基喹啉 、 聚合甲醛 、 1-(4-氟苯基)哌嗪 在 吡啶 作用下， 反应 0.5h， 生成 INP1860
  参考文献：
  名称：

  Derivatives of 8-hydroxyquinoline—antibacterial agents that target intra- and extracellular Gram-negative pathogens

  摘要：

  Small molecule screening identified 5-nitro-7-((4-phenylpiperazine-1-yl-)methyl)quinolin-8-ol INP1750 as a putative inhibitor of type III secretion (T3S) in the Gram-negative pathogen Yersinia pseudotuberculosis. In this study we report structure-activity relationships for inhibition of T3S and show that the most potent compounds target both the extracellular bacterium Y. pseudotuberculosis and the intracellular pathogen Chlamydia trachomatis in cell-based infection models. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.096

文献信息

• Derivatives of 8-hydroxyquinoline—antibacterial agents that target intra- and extracellular Gram-negative pathogens
  作者：Per-Anders Enquist、Åsa Gylfe、Ulrik Hägglund、Pia Lindström、Henrik Norberg-Scherman、Charlotta Sundin、Mikael Elofsson

  DOI：10.1016/j.bmcl.2012.03.096

  日期：2012.5

  Small molecule screening identified 5-nitro-7-((4-phenylpiperazine-1-yl-)methyl)quinolin-8-ol INP1750 as a putative inhibitor of type III secretion (T3S) in the Gram-negative pathogen Yersinia pseudotuberculosis. In this study we report structure-activity relationships for inhibition of T3S and show that the most potent compounds target both the extracellular bacterium Y. pseudotuberculosis and the intracellular pathogen Chlamydia trachomatis in cell-based infection models. (C) 2012 Elsevier Ltd. All rights reserved.