(1R)-1-(4-amino-5-cyano-1H-pyrrol-3-yl)-1,4-anhydro-2-C-methyl-2,3-O-(1-methylethylidene)-5-O-trityl-α-D-ribitol

• 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: (1R)-1-(4-amino-5-cyano-1H-pyrrol-3-yl)-1,4-anhydro-2-C-methyl-2,3-O-(1-methylethylidene)-5-O-trityl-α-D-ribitol
• 英文别名: 3-amino-2-cyano-4-(2,3-O-isopropylidene-2-C-methyl-5-O-triphenylmethyl-β-D-ribofuranosyl)-1H-pyrrole；4-[(3aS,4S,6R,6aR)-2,2,3a-trimethyl-6-(trityloxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-3-amino-1H-pyrrole-2-carbonitrile
• 化学式: C₃₃H₃₃N₃O₄
• 分子量: 535.643
• InChiKey: LOAUNSSDTNMBNG-KUOCIDJVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1R)-1-(4-amino-5-cyano-1H-pyrrol-3-yl)-1,4-anhydro-2-C-methyl-2,3-O-(1-methylethylidene)-5-O-trityl-α-D-ribitol 、 醋酸甲脒 以 乙醇 为溶剂， 反应 5.0h， 生成 (1R)-1-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydro-2-C-methyl-2,3-O-(1-methylethylidene)-5-O-trityl-D-ribitol
  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：

  (2E)-3,6-anhydro-2-deoxy-2-C-[(cyanomethylamino)methylidene]-4,5-O-isopropylidene-4-C-methyl-7-O-(triphenylmethyl)-D-allo-and D-altro-septononitrile 在 1,5-二氮杂双环[4.3.0]壬-5-烯 、 氯甲酸乙酯 作用下， 以 二氯甲烷 为溶剂， 反应 40.0h， 生成 (1R)-1-(4-amino-5-cyano-1H-pyrrol-3-yl)-1,4-anhydro-2-C-methyl-2,3-O-(1-methylethylidene)-5-O-trityl-α-D-ribitol
  参考文献：
  名称：

  [EN] NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS
  [FR] NOUVEAU NUCLEOSIDES OU NUCLEOTIDES TRICYCLIQUES UTILLISES COMME AGENTS THERAPEUTIQUES

  摘要：

  公开号：

  WO2005021568A3

文献信息

• Novel Tricyclic Nucleosides or Nucleotides as Therapeutic Agents
  申请人：Cook Phillip Dan

  公开号：US20080200423A1

  公开（公告）日：2008-08-21

  Nucelosides and nucleotides containing a tricyclic base portion thereof are useful for treating infectious diseases and proliferative disorders, such as viral infections or cancer respectively.

  含有三环碱基部分的核苷和核苷酸可用于治疗感染性疾病和增生性疾病，例如病毒感染或癌症。
• NOVEL TRICYCLIC NUCLEOSIDES OR NUCLEOTIDES AS THERAPEUTIC AGENTS
  申请人：Cook Dan Phillip

  公开号：US20070135363A1

  公开（公告）日：2007-06-14

  Nucleosides and nucleotides containing a tricyclic base portion thereof are useful for treating infectious diseases and proliferative disorders, such as viral infections or cancer respectively.

  含有三环碱基部分的核苷和核苷酸可用于治疗感染性疾病和增殖性疾病，如病毒感染或癌症。
• [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
• 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.
• US7268119B2
  申请人：——

  公开号：US7268119B2

  公开（公告）日：2007-09-11