2-[[2-[(E)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]anilino]methyl]isoindole-1,3-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[[2-[(E)-N-(2,4-dinitroanilino)-C-phenylcarbonimidoyl]anilino]methyl]isoindole-1,3-dione
• 化学式: C28H20N6O6
• 分子量: 536.5
• InChiKey: SUNPAEYGXQEYBH-GKPLWNPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  165
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS
  申请人：Roxas-Duncan Virginia I.

  公开号：US20110294848A1

  公开（公告）日：2011-12-01

  The invention provides potent quinolinol-based BoNT/A small-molecule inhibitors of botulinum neurotoxins, in particular of Clostridium botulinum serotype A neurotoxins. The invention also provides methods of using these small-molecule inhibitors to inhibit infections by Clostridium botulinum , as well as, methods of preventing infections by Clostridium botulinum through materials that may be ingested.
• [EN] SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DE NEUROTOXINES BOTULINIQUES
  申请人：ROXAS-DUNCAN VIRGINIA I

  公开号：WO2009151972A1

  公开（公告）日：2009-12-17

  The invention provides potent quinolinol-based BoNT/A small-molecule inhibitors of botulinum neurotoxins, in particular of Clostridium botulinum serotype A neurotoxins. The invention also provides methods of using these small-molecule inhibitors to inhibit infections by Clostridium botulinum, as well as, methods of preventing infections by Clostridiumbotulinum through materials that may be ingested.