ethyl (1R,2R)-2-(difluoromethyl)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(fluoren-9-ylideneamino)oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate | 1160633-76-0

• 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 (1R,2R)-2-(difluoromethyl)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(fluoren-9-ylideneamino)oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate
• CAS: 1160633-76-0
• 化学式: C₃₆H₄₄F₂N₄O₇
• 分子量: 682.765
• InChiKey: IQINWXFLSSAXMF-VQOKBNNPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  49
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  ethyl (1R,2R)-2-(difluoromethyl)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(fluoren-9-ylideneamino)oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 18.0h， 以100%的产率得到(1R,2R)-2-(difluoromethyl)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(fluoren-9-ylideneamino)oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
  参考文献：
  名称：

  [EN] FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS
  [FR] COMPOSÉS À BASE DE TRIPEPTIDES FLUORÉS INHIBANT LA SÉRINE PROTÉASE DU VHC

  摘要：

  公开号：

  WO2009076173A3
• 作为产物：
  描述：

  、 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(fluoren-9-ylideneamino)oxypyrrolidine-2-carboxylic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 ethyl (1R,2R)-2-(difluoromethyl)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(fluoren-9-ylideneamino)oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate
  参考文献：
  名称：

  [EN] FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS
  [FR] COMPOSÉS À BASE DE TRIPEPTIDES FLUORÉS INHIBANT LA SÉRINE PROTÉASE DU VHC

  摘要：

  公开号：

  WO2009076173A3

文献信息

• OXIMYL HCV SERINE PROTEASE INHIBITORS
  申请人：GAI YONGHUA

  公开号：US20090155210A1

  公开（公告）日：2009-06-18

  The present invention discloses compounds of formula I or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.
• FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS
  申请人：GAI YONGHUA

  公开号：US20090197888A1

  公开（公告）日：2009-08-06

  The present invention relates to compounds of Formula I, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: which inhibit serine protease activity, particularly the activity of hepatitis c virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis c virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.
• US8361958B2
  申请人：——

  公开号：US8361958B2

  公开（公告）日：2013-01-29
• US8940688B2
  申请人：——

  公开号：US8940688B2

  公开（公告）日：2015-01-27
• [EN] FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS<br/>[FR] COMPOSÉS À BASE DE TRIPEPTIDES FLUORÉS INHIBANT LA SÉRINE PROTÉASE DU VHC
  申请人：ENANTA PHARM INC

  公开号：WO2009076173A3

  公开（公告）日：2010-01-14