3-[2-amino-9-(2-C-methyl-β-D-ribofuranosyl)-9H-purin-6-yl-amino]propionic acid methyl ester

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 3-[2-amino-9-(2-C-methyl-β-D-ribofuranosyl)-9H-purin-6-yl-amino]propionic acid methyl ester
• 英文别名: 3-[2-Amino-9-(2-C-methyl-beta-D-ribofuranosyl)-9H-purin-6-yl-amino]propionic acid methyl ester；methyl 3-[[2-amino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]amino]propanoate
• 化学式: C₁₅H₂₂N₆O₆
• 分子量: 382.376
• InChiKey: FJQKAKWGHXMDKY-ZEJIMRTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  178
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  3-氨基丙酸甲酯盐酸盐 、 6-氯-9-(2-C-甲基-beta-D-呋喃核糖基)-9H-嘌呤-2-胺 在 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 3-[2-amino-9-(2-C-methyl-β-D-ribofuranosyl)-9H-purin-6-yl-amino]propionic acid methyl ester
  参考文献：
  名称：

  Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase

  摘要：

  本发明提供了核苷类化合物及其某些衍生物，这些化合物是RNA依赖的RNA病毒聚合酶的抑制剂。这些化合物是RNA依赖的RNA病毒复制的抑制剂，可用于治疗RNA依赖的RNA病毒感染。它们特别适用于作为乙型肝炎病毒（HCV）NS5B聚合酶的抑制剂，作为HCV复制的抑制剂，和/或用于治疗丙型肝炎感染。该发明还描述了包含这种核苷类化合物的药物组合物，单独或与其他对抗RNA依赖的RNA病毒感染，特别是HCV感染的活性剂结合在一起。还披露了使用本发明的核苷类化合物抑制RNA依赖的RNA聚合酶、抑制RNA依赖的RNA病毒复制和/或治疗RNA依赖的RNA病毒感染的方法。

  公开号：

  US20060234962A1

文献信息

• NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE
  申请人：Merck & Co., Inc.

  公开号：EP1572945A2

  公开（公告）日：2005-09-14
• [EN] NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE<br/>[FR] DERIVES NUCLEOSIDIQUES UTILISES COMME INHIBITEURS DE L'ARN POLYMERASE ARN-DEPENDANTE VIRALE
  申请人：MERCK & CO INC

  公开号：WO2004003138A2

  公开（公告）日：2004-01-08

  The present invention provides nucleoside compounds and certain derivatives thereof which are inhibitors of RNA-dependent RNA viral polymerase. These compounds are inhibitors of RNA-dependent RNA viral replication and are useful for the treatment of RNA-dependent RNA viral infection. They are particularly useful as inhibitors of hepatitis C virus (HCV) NS5B polymerase, as inhibitors of HCV replication, and/or for the treatment of hepatitis C infection. The invention also describes pharmaceutical compositions containing such nucleoside compounds alone or in combination with other agents active against RNA-dependent RNA viral infection, in particular HCV infection. Also disclosed are methods of inhibiting RNA-dependent RNA polymerase, inhibiting RNA-dependent RNA viral replication, and/or treating RNA-dependent RNA viral infection with the nucleoside compounds of the present invention.
• Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase
  申请人：Olsen B. David

  公开号：US20060234962A1

  公开（公告）日：2006-10-19

  The present invention provides nucleoside compounds and certain derivatives thereof which are inhibitors of RNA-dependent RNA viral polymerase. These compounds are inhibitors of RNA-dependent RNA viral replication and are useful for the treatment of RNA-dependent RNA viral infection. They are particularly useful as inhibitors of hepatitis C virus (HCV) NS5B polymerase, as inhibitors of HCV replication, and/or for the treatment of hepatitis C infection. The invention also describes pharmaceutical compositions containing such nucleoside compounds alone or in combination with other agents active against RNA-dependent RNA viral infection, in particular HCV infection. Also disclosed are methods of inhibiting RNA-dependent RNA polymerase, inhibiting RNA-dependent RNA viral replication, and/or treating RNA-dependent RNA viral infection with the nucleoside compounds of the present invention.

  本发明提供了核苷类化合物及其某些衍生物，这些化合物是RNA依赖的RNA病毒聚合酶的抑制剂。这些化合物是RNA依赖的RNA病毒复制的抑制剂，可用于治疗RNA依赖的RNA病毒感染。它们特别适用于作为乙型肝炎病毒（HCV）NS5B聚合酶的抑制剂，作为HCV复制的抑制剂，和/或用于治疗丙型肝炎感染。该发明还描述了包含这种核苷类化合物的药物组合物，单独或与其他对抗RNA依赖的RNA病毒感染，特别是HCV感染的活性剂结合在一起。还披露了使用本发明的核苷类化合物抑制RNA依赖的RNA聚合酶、抑制RNA依赖的RNA病毒复制和/或治疗RNA依赖的RNA病毒感染的方法。