ethyl 1-[[[(4R,6R,7S)-4-(2,4-dioxopyrimidin-1-yl)-7-hydroxy-5-oxaspiro[2.4]heptan-6-yl]methoxy-phenoxyphosphoryl]amino]cyclobutane-1-carboxylate | 1228877-50-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 1-[[[(4R,6R,7S)-4-(2,4-dioxopyrimidin-1-yl)-7-hydroxy-5-oxaspiro[2.4]heptan-6-yl]methoxy-phenoxyphosphoryl]amino]cyclobutane-1-carboxylate
• CAS: 1228877-50-6
• 化学式: C₂₄H₃₀N₃O₉P
• 分子量: 535.491
• InChiKey: JKWHSKVAQCIUIB-FGWXURBISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  153
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• [EN] URACYL CYCLOPROPYL NUCLEOTIDES<br/>[FR] NUCLÉOTIDES DE TYPE URACYLCYCLOPROPYLE
  申请人：CENTOCOR ORTHO BIOTECH PRODUCT

  公开号：WO2010066699A1

  公开（公告）日：2010-06-17

  Compounds of the formula (I) including any possible stereoisomers thereof, wherein: R1 is hydrogen or halo; R4 is a monophosphate, diphosphate or triphosphate ester; or R4 is a group of formula (II) R7 is optionally substituted phenyl; naphthyl; indolyl or N-C1-C6alkyloxycarbonyl- indolyl; R8 is hydrogen, C1-C6alkyl, benzyl; R8' is hydrogen, C1-C6alkyl, benzyl; or R8 and R8' together with the carbon atom to which they are attached form C3-C7cycloalkyl; R9 is C1-C10alkyl, benzyl, or optionally substituted phenyl; or a pharmaceutically acceptable salt or solvate thereof. pharmaceutical formulations and the use of compounds I as HCV inhibitors.

  化合物的公式(I)，包括其任何可能的立体异构体，其中：R1是氢或卤素；R4是单磷酸酯、二磷酸酯或三磷酸酯；或者R4是公式(II)的基团，其中R7是可选取代的苯基；萘基；吲哚基或N-C1-C6烷氧羰基-吲哚基；R8是氢、C1-C6烷基、苄基；R8'是氢、C1-C6烷基、苄基；或者R8和R8'与它们所连接的碳原子形成C3-C7环烷基；R9是C1-C10烷基、苄基或可选取代的苯基；或其药学上可接受的盐或溶剂。制药配方和化合物I作为HCV抑制剂的用途。
• URACYL CYCLOPROPYL NUCLEOTIDES
  申请人：Janssen Products, L.P.

  公开号：EP2373671B1

  公开（公告）日：2014-09-10
• Uracyl Cyclopropyl Nucleotides
  申请人：Jonckers Tim Hugo Maria

  公开号：US20110230436A1

  公开（公告）日：2011-09-22

  Compounds of the formula I: including any possible stereoisomers thereof, wherein: R 1 is hydrogen or halo; R 4 is a monophosphate, diphosphate or triphosphate ester; or R 4 is a group of formula R 7 is optionally substituted phenyl; naphthyl; indolyl or N—C 1 -C 6 alkyloxycarbonylindolyl; R 8 is hydrogen, C 1 -C 6 alkyl, benzyl; R 8′ is hydrogen, C 1 -C 6 alkyl, benzyl; or R 8 and R 8′ together with the carbon atom to which they are attached form C 3 -C 7 cycloalkyl; R 9 is C 1 -C 10 alkyl, benzyl, or optionally substituted phenyl; or a pharmaceutically acceptable salt or solvate thereof. pharmaceutical formulations and the use of compounds I as HCV inhibitors.
• US8399429B2
  申请人：——

  公开号：US8399429B2

  公开（公告）日：2013-03-19