ethyl (1R,2S)-1-[[(2S,4R)-4-[5-bromo-4-(1,3-dihydroisoindol-2-yl)-6-oxopyridazin-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate | 1006394-62-2

• 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,2S)-1-[[(2S,4R)-4-[5-bromo-4-(1,3-dihydroisoindol-2-yl)-6-oxopyridazin-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate
• CAS: 1006394-62-2
• 化学式: C₃₆H₄₇BrN₆O₇
• 分子量: 755.709
• InChiKey: BCKZZGBUQDVKDU-MTUWJJMKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  50
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  150
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  异吲哚啉 、 ethyl (1R,2S)-1-[[(2S,4R)-4-(4,5-dibromo-6-oxopyridazin-1-yl)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以64%的产率得到ethyl (1R,2S)-1-[[(2S,4R)-4-[5-bromo-4-(1,3-dihydroisoindol-2-yl)-6-oxopyridazin-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate
  参考文献：
  名称：

  WO2008/19266

  摘要：

  公开号：

文献信息

• ACYCLIC, PYRIDAZINONE-DERIVED HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Moore Joel D.

  公开号：US20090035267A1

  公开（公告）日：2009-02-05

  The present invention relates to compounds of Formula I, or pharmaceutically acceptable salts, esters, or prodrugs thereof, which can 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 a compound of the present invention.
• WO2008/19266
  申请人：——

  公开号：——

  公开（公告）日：——