ethyl (R)-2-methyl-4-(((2R,4aS,6S,7aR)-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl)oxy)butanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl (R)-2-methyl-4-(((2R,4aS,6S,7aR)-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl)oxy)butanoate
• 英文别名: ethyl (2R)-4-[[(2R,4aS,6S,7aR)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]-2-methylbutanoate
• 化学式: C₁₇H₂₅N₂O₉P
• 分子量: 432.367
• InChiKey: GMBHMHLTSOSUMD-TUXMDYKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethyl 4-hydroxy-2-methylbutanedioate 、 替比夫定 在 4,5-二氰基咪唑 、 双氧水 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 3.25h， 生成 ethyl (S)-2-methyl-4-(((2R,4aS,6S,7aR)-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl)oxy)butanoate 、 ethyl (R)-2-methyl-4-(((2R,4aS,6S,7aR)-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl)oxy)butanoate 、 ethyl (S)-2-methyl-4-(((2S,4aS,6S,7aR)-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl)oxy)butanoate 、 ethyl (R)-2-methyl-4-(((2S,4aS,6S,7aR)-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl)oxy)butanoate
  参考文献：
  名称：

  [EN] CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES
  [FR] DÉRIVÉS DE NUCLÉOSIDES CYCLIQUES À SUBSTITUTION PHOSPHATE POUR LE TRAITEMENT DE MALADIES HÉPATIQUES

  摘要：

  本发明涉及式（I）或式（II）的化合物或其药用可接受的盐、溶剂化合物或对映体，其中A、B、R1、R2、R3、R4、Q和V如本文所定义。本发明还涉及包括式（I）或式（II）的化合物的药物组合物，并其在治疗中的应用。

  公开号：

  WO2018091542A1

文献信息

• CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES
  申请人：MSD International GMBH

  公开号：US20210205339A1

  公开（公告）日：2021-07-08

  The present invention relates to Compounds of Formula (I) or Formula (II): or a pharmaceutically acceptable salt, solvate or enantiomer thereof, wherein A, B, R 1 , R 2 , R 3 , R 4 , Q and V are as defined herein. The present invention also relates to pharmaceutical compositions comprising a Compound of Formula (I) or Formula (II) and to their use in therapy.
• [EN] CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES<br/>[FR] DÉRIVÉS DE NUCLÉOSIDES CYCLIQUES À SUBSTITUTION PHOSPHATE POUR LE TRAITEMENT DE MALADIES HÉPATIQUES
  申请人：IDENIX PHARMACEUTICALS LLC

  公开号：WO2018091542A1

  公开（公告）日：2018-05-24

  The present invention relates to Compounds of Formula (I) or Formula (II) or a pharmaceutically acceptable salt, solvate or enantiomer thereof, wherein A, B, R1, R2, R3, R4, Q and V are as defined herein. The present invention also relates to pharmaceutical compositions comprising a Compound of Formula (I) or Formula (II) and to their use in therapy.

  本发明涉及式（I）或式（II）的化合物或其药用可接受的盐、溶剂化合物或对映体，其中A、B、R1、R2、R3、R4、Q和V如本文所定义。本发明还涉及包括式（I）或式（II）的化合物的药物组合物，并其在治疗中的应用。