ethyl 6-(bromomethyl)-3-[2-[2-[[N'-[2-[[2-[(4R)-6-(bromomethyl)-4-(4-cyanophenyl)-5-ethoxycarbonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]acetyl]amino]ethyl]-N-(2,2,2-trifluoroacetyl)carbamimidoyl]amino]ethylamino]-2-oxoethyl]-4-(4-cyanophenyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 6-(bromomethyl)-3-[2-[2-[[N'-[2-[[2-[(4R)-6-(bromomethyl)-4-(4-cyanophenyl)-5-ethoxycarbonyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]acetyl]amino]ethyl]-N-(2,2,2-trifluoroacetyl)carbamimidoyl]amino]ethylamino]-2-oxoethyl]-4-(4-cyanophenyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate
• 化学式: C₅₅H₄₈Br₂F₉N₁₁O₉
• 分子量: 1337.8
• InChiKey: YPGRGTVKKNFDNH-ODYCNIDGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  86
• 可旋转键数：
  24
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  259
• 氢给体数：
  4
• 氢受体数：
  21

文献信息

• Tetrahydropyrrolopyrimidinediones And Their Use In Therapy
  申请人：RAY Nicholas Charles

  公开号：US20120202826A1

  公开（公告）日：2012-08-09

  The subject invention provides compounds of formula (I): Including monomers and multimers thereof that are inhibitors of human neutrophil elastase (HNE) activity and are useful in the treatment of diseases or conditions in which HNE plays a part.
• US8957082B2
  申请人：——

  公开号：US8957082B2

  公开（公告）日：2015-02-17