[(2R,4S,5R)-5-[4-(chloroamino)-2-oxopyrimidin-1-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-(chloroamino)-3-methylbutanoate

• 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: [(2R,4S,5R)-5-[4-(chloroamino)-2-oxopyrimidin-1-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-(chloroamino)-3-methylbutanoate
• 化学式: C₁₅H₂₂Cl₂N₄O₆
• 分子量: 425.3
• InChiKey: OXOKHCFEPCMQDH-CHUOASDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  133
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• 2'-BRANCHED NUCLEOSIDES AND FLAVIVIRIDAE MUTATION
  申请人：Idenix Pharmaceuticals, Inc.

  公开号：US20140286900A1

  公开（公告）日：2014-09-25

  The present invention discloses a method for the treatment of Flaviviridae infection that includes the administration of a 2′-branched nucleoside, or a pharmaceutically acceptable prodrug and/or salt thereof, to a human in need of therapy in combination or alternation with a drug that directly or indirectly induces a mutation in the viral genome at a location other than a mutation of a nucleotide that results in a change from serine to a different amino acid in the highly conserved consensus sequence, XRX S GXXXT (SEQ ID NO: 63), of domain B of the RNA polymerase region, or is associated with such a mutation. The invention also includes a method to detect a mutant strain of Flaviviridae and a method for its treatment.
• US8674085B2
  申请人：——

  公开号：US8674085B2

  公开（公告）日：2014-03-18