propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• 化学式: C₂₂H₃₁N₄O₉P
• 分子量: 526.5
• InChiKey: DBWBEYYGFGIAOU-MOLXTFABSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  179
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV
  申请人：Centre National De La Recherche Scientifique

  公开号：US20160113956A1

  公开（公告）日：2016-04-28

  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′-cyano, azido or amino nucleosides according to Formula 1001 or 2001: or a pharmaceutically acceptable salt, solvate, stereoisomeric form, tautomeric form, or polymorphic form thereof, wherein Base, W, R 1 and R 2 are as described herein.

  本文提供了治疗黄病毒科感染，包括丙型肝炎（HCV）感染的化合物、组合物和方法。在某些实施例中，揭示了核苷衍生物的化合物和组合物，可以单独或与其他抗病毒药物联合使用。在某些实施例中，所述化合物是根据公式1001或2001的2'-氰基，偶氮基或氨基核苷衍生物，或其药学上可接受的盐，溶剂化合物，立体异构体，互变异构体或多态形式，其中Base，W，R1和R2如本文所述。
• US20140271547A1
  申请人：——

  公开号：US20140271547A1

  公开（公告）日：2014-09-18
• [EN] AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV<br/>[FR] PRONUCLÉOTIDES DE PHOSPHORAMIDATE D'ACIDE AMINÉ DE 2'-CYANO, AZIDO ET AMINO NUCLÉOSIDES POUR LE TRAITEMENT DU VIRUS DE L'HÉPATITE C (VHC)
  申请人：IDENIX PHARMACEUTICALS INC

  公开号：WO2014160484A1

  公开（公告）日：2014-10-02

  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'-cyano, azido or amino nucleosides according to or a pharmaceutically acceptable salt, solvate, stereoisomeric form, tautomeric form, or polymorphic form thereof, wherein Base, W, R1, R2, R10, and R11 are as described herein.