[[(1R,3R,4R,7S)-3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-cyano-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油磷脂
• 英文名称: [[(1R,3R,4R,7S)-3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-cyano-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• 化学式: C₁₃H₁₆N₅O₁₃P₃
• 分子量: 543.21
• InChiKey: DCECFAVYLGUFOB-YGNMPJRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.7
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  279
• 氢给体数：
  6
• 氢受体数：
  17

文献信息

• 2′,4′-bridged nucleosides for HCV infection
  申请人：IDENIX PHARMACEUTICALS LLC

  公开号：US10723754B2

  公开（公告）日：2020-07-28

  Provided herein are compounds, compositions and methods for the treatment of Flaviviridae infections, including HCV infections. In certain embodiments, compounds and compositions of nucleoside derivatives are disclosed, which can be administered either alone or in combination with other anti-viral agents. In certain embodiments, the compounds are 2′,4′-bridged nucleosides which display remarkable efficacy and bioavailability for the treatment of, for example, HCV infection in a human. In certain embodiments, the 2′,4′-bridged nucleosides are of Formula 3001: or a pharmaceutically acceptable salt, solvate, stereoisomeric form, tautomeric form or polymorphic form thereof, where PD, B, W, X, RA, RB, RC and RD are as described herein.

  本文提供了用于治疗黄病毒科感染（包括 HCV 感染）的化合物、组合物和方法。在某些实施方案中，公开了核苷衍生物的化合物和组合物，可单独使用或与其他抗病毒药物联合使用。在某些实施方案中，这些化合物是2′,4′桥接核苷，在治疗人类HCV感染等方面具有显著的疗效和生物利用度。在某些实施方案中，2′，4′桥核苷为式3001： 或其药学上可接受的盐、溶液、立体异构体、同分异构体或多晶型，其中 PD、B、W、X、RA、RB、RC 和 RD 如本文所述。
• [EN] 2',4'-BRIDGED NUCLEOSIDES FOR HCV INFECTION<br/>[FR] NUCLÉOSIDES 2', 4'-PONTÉS POUR L'INFECTION PAR LE VHC
  申请人：IDENIX PHARMACEUTICALS INC

  公开号：WO2014066239A1

  公开（公告）日：2014-05-01

  Provided herein are compounds, compositions and methods for the treatment of Flaviviridae infections, including HCV infections. In certain embodiments, compounds and compositions of nucleoside derivatives are disclosed, which can be administered either alone or in combination with other anti-viral agents. In certain embodiments, the compounds are 2',4'-bridged nucleosides which display remarkable efficacy and bioavailability for the treatment of, for example, HCV infection in a human. In certain embodiments, the 2',4'-bridged nucleosides are of Formula 3001:(I) (3001); or a pharmaceutically acceptable salt, solvate, stereoisomeric form, tautomeric form or polymorphic form thereof, where PD, B, W, X, RA, RB, RC and RD are as described herein.