[(2R,3R,4S,5R)-5-(cyanomethyl)-4-hydroxy-4-methyl-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate | 872201-65-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2R,3R,4S,5R)-5-(cyanomethyl)-4-hydroxy-4-methyl-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
• CAS: 872201-65-5
• 化学式: C₂₄H₂₅NO₆
• 分子量: 423.466
• InChiKey: JSMGMJXKTGYDGX-CTVDGRRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [(2R,3R,4S,5R)-5-(cyanomethyl)-4-hydroxy-4-methyl-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate 、 对甲基苯甲酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 [(2R,3R,4S,5R)-5-(cyanomethyl)-4-methyl-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate
  参考文献：
  名称：

  [EN] C-PURINE NUCLEOSIDE ANALOGS AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE
  [FR] ANALOGUES NUCLEOSIDIQUES DE C-PURINE, SERVANT D'INHIBITEURS D'ARN-POLYMERASE VIRALE ARN-DEPENDANTE

  摘要：

  公开号：

  WO2005123087A3
• 作为产物：
  描述：

  2-C-methyl-3,5-di-O-(4-methylbenzoyl)-D-ribofuranose 在 sodium hydride 作用下， 以 乙二醇二甲醚 为溶剂， 反应 3.75h， 生成 (2R,3R,4S,5S)-5-(cyanomethyl)-4-hydroxy-4-methyl-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate 、 [(2R,3R,4S,5R)-5-(cyanomethyl)-4-hydroxy-4-methyl-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
  参考文献：
  名称：

  [EN] C-PURINE NUCLEOSIDE ANALOGS AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE
  [FR] ANALOGUES NUCLEOSIDIQUES DE C-PURINE, SERVANT D'INHIBITEURS D'ARN-POLYMERASE VIRALE ARN-DEPENDANTE

  摘要：

  公开号：

  WO2005123087A3

文献信息

• C-Purine Nucleoside Analogs As Inhibitors Of Rna-Dependent Rna Viral Polymerase
  申请人：Butora Gabor

  公开号：US20080021047A1

  公开（公告）日：2008-01-24

  The present invention provides C-purine nucleoside analogs 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 C-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 C-nucleoside compounds of the present invention.
• US7534767B2
  申请人：——

  公开号：US7534767B2

  公开（公告）日：2009-05-19
• [EN] C-PURINE NUCLEOSIDE ANALOGS AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE<br/>[FR] ANALOGUES NUCLEOSIDIQUES DE C-PURINE, SERVANT D'INHIBITEURS D'ARN-POLYMERASE VIRALE ARN-DEPENDANTE
  申请人：MERCK & CO INC

  公开号：WO2005123087A3

  公开（公告）日：2006-07-13