1-[(4aR,6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-methylpurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-3,4a,6,7a-tetrahydrofuro[2,3-e][1,4,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1-[(4aR,6R,7R,7aR)-2-[3-[[(4aR,6R,7R,7aR)-6-(2-amino-6-methylpurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]phenoxy]-7-fluoro-7-methyl-2-oxo-3,4a,6,7a-tetrahydrofuro[2,3-e][1,4,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione
• 化学式: C₂₈H₂₉F₂N₇O₁₂P₂
• 分子量: 755.5
• InChiKey: WZEIXVGQBGYMJN-OMYPRLAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  51
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  227
• 氢给体数：
  2
• 氢受体数：
  18

文献信息

• DINUCLEOTIDE COMPOUNDS FOR HCV INFECTION
  申请人：IDENIX PHARMACEUTICALS, INC.

  公开号：US20140112886A1

  公开（公告）日：2014-04-24

  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 comprise two 2′-methyl nucleotides linked according to Formula I: N 1 -L-N 2 (I) or a pharmaceutically acceptable salt, ester, solvate, stereoisomer, isomeric form, tautomeric form or polymorphic form thereof; wherein N 1 , L and N 2 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。在某些实施方式中，披露了核苷类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给药。在某些实施方式中，所述化合物包括根据以下式I连接的两个2'-甲基核苷酸：N1-L-N2(I)或其药学上可接受的盐、酯、溶剂合物、立体异构体、同分异构体、互变异构体或其多形形式；其中N1、L和N2如本文所述。