(2E)-3,6-anhydro-2-deoxy-2-C-(hydroxymethylidene)-4,5-O-isopropylidene-4-C-methyl-7-O-(triphenylmethyl)-D-allo-and D-altro-septononitrile | 847551-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (2E)-3,6-anhydro-2-deoxy-2-C-(hydroxymethylidene)-4,5-O-isopropylidene-4-C-methyl-7-O-(triphenylmethyl)-D-allo-and D-altro-septononitrile
• 英文别名: (E)-2-[(3aS,6R,6aR)-2,2,3a-trimethyl-6-(trityloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-3-hydroxyprop-2-enenitrile
• CAS: 847551-32-0
• 化学式: C₃₁H₃₁NO₅
• 分子量: 497.591
• InChiKey: MIONGMHWTBJIOQ-VNNSTQHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  80.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2E)-3,6-anhydro-2-deoxy-2-C-(hydroxymethylidene)-4,5-O-isopropylidene-4-C-methyl-7-O-(triphenylmethyl)-D-allo-and D-altro-septononitrile 、 氯乙腈 在 caesium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 (E)-2-[(3aS,6R,6aR)-2,2,3a-trimethyl-6-(trityloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-3-(cyanomethoxy)prop-2-enenitrile
  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：

  甲酸甲酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 1.75h， 生成 (2E)-3,6-anhydro-2-deoxy-2-C-(hydroxymethylidene)-4,5-O-isopropylidene-4-C-methyl-7-O-(triphenylmethyl)-D-allo-and D-altro-septononitrile
  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

• [EN] NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS<br/>[FR] NOUVEAU NUCLEOSIDES OU NUCLEOTIDES TRICYCLIQUES UTILLISES COMME AGENTS THERAPEUTIQUES
  申请人：BIOTA INC

  公开号：WO2005021568A3

  公开（公告）日：2005-04-21
• 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