2-[(4,6-dichloropyridazin-3-yl)amino]-N-[1-(5-fluoro-6-pyridin-2-ylpyridin-2-yl)ethyl]pentanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-[(4,6-dichloropyridazin-3-yl)amino]-N-[1-(5-fluoro-6-pyridin-2-ylpyridin-2-yl)ethyl]pentanamide
• 化学式: C₂₁H₂₁Cl₂FN₆O
• 分子量: 463.3
• InChiKey: JVTBABJUFAMAIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM
  申请人：Moir Donald T.

  公开号：US20140142134A1

  公开（公告）日：2014-05-22

  Organic compounds showing the ability to inhibit effector toxin secretion or translocation mediated by bacterial type III secretion systems are disclosed. The disclosed type III secretion system inhibitor compounds are useful for combating infections by Gram-negative bacteria such as Salmonella spp., Shigella flexneri, Psendomonas spp., Yersinia spp., en tero pathogenic and enteroinvasive Escherichia coli, and Chlamydia spp. having such type III secretion systems.