1-β-D-arabinofuranosyl-1H-[1,2,4]triazole-3-carboxylic acid amide | 40372-11-0

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 三唑核糖核苷和核糖核苷酸
• 英文名称: 1-β-D-arabinofuranosyl-1H-[1,2,4]triazole-3-carboxylic acid amide
• 英文别名: 1-(β-D-Arabinofuranosyl)-<1,2,4>triazol-3-carboxamid；1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
• CAS: 40372-11-0
• 化学式: C₈H₁₂N₄O₅
• 分子量: 244.207
• InChiKey: IWUCXVSUMQZMFG-XWJKOJJASA-N

物化性质

• 沸点：
  639.8±65.0 °C(Predicted)
• 密度：
  2.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  144
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  α,β-D-arabinofuranose-5-phosphate disodium salt 、 2H-1,2,4-三氮唑-3-甲酰胺 在 purine nucleoside phosphorylase 2-巯基乙醇 、 manganese(ll) chloride 作用下， 以 various solvent(s) 为溶剂， 反应 72.0h， 以19%的产率得到1-β-D-arabinofuranosyl-1H-[1,2,4]triazole-3-carboxylic acid amide
  参考文献：
  名称：

  Chemoenzymatic preparation of nucleosides from furanoses

  摘要：

  Chemoenzymatic preparation of ribose, deoxyribose and arabinose 5-phosphates was accomplished. These compounds were tested as starting materials in the enzymatic preparation of natural and modified purine and pyrimidine nucleosides, using an overexpressed Escherichia coli phosphopentomutase. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.087

文献信息

• HETEROCYCLIC ANTIVIRAL COMPOUNDS
  申请人：Broka Chris Allen

  公开号：US20110070190A1

  公开（公告）日：2011-03-24

  The invention discloses 1-N-substituted-6-(hetero)aryl-1H-thieno[3,2-d]pyrimidin-4-one derivatives of formula wherein R 1 , R 2 , R 3 and R 4 are as defined herein that inhibit Hepatitis C virus NS5b polymerase inhibitors. Also disclosed are compositions and methods for treating an HCV infection and inhibiting HCV replication.

  该发明揭示了公式的1-N-取代-6-(杂)芳基-1H-噻吩[3,2-d]嘧啶-4-酮衍生物 其中R 1 ，R 2 ，R 3 和R 4 如本文所定义，抑制丙型肝炎病毒NS5b聚合酶抑制剂。还公开了治疗HCV感染和抑制HCV复制的组合物和方法。
• Heterocyclic antiviral compounds
  申请人：Blake F. James

  公开号：US20060040927A1

  公开（公告）日：2006-02-23

  Compounds having the formula I wherein A, m and R 1 are herein defined are Hepatitis C virus polymerase inhibitors. Also disclosed are compositions and methods for treating diseases mediated by HCV and for inhibiting hepatitis replication. Also disclosed are processes for making the compounds and synthetic intermediates used in the process

  具有公式I的化合物，其中A、m和R1如本文所定义，是丙型肝炎病毒聚合酶抑制剂。还公开了用于治疗HCV介导的疾病和抑制肝炎复制的组合物和方法。还公开了制备这些化合物和用于该过程的合成中间体的方法。
• Hepatitis C virus polymerase inhibitors
  申请人：Blaney Jeffrey Mark

  公开号：US20080200512A1

  公开（公告）日：2008-08-21

  The invention provides a compound of formula: and methods for making and using the same, where R 1 and R 2 are independently hydrogen, C 1-6 alkyl or C 1-6 haloalkyl; R 3 is hydrogen, halogen, C 1-6 alkyl or C 1-6 alkoxy; R 4 is hydrogen or halogen; and R 5 is a mono- or di-amino acid moiety, a succinic acid moiety, a urea moiety, or a derivative thereof. The invention also provides pharmaceutical compositions comprising a compound of formula I, and methods for making and using the same.

  这项发明提供了一个化合物的公式：以及制备和使用该化合物的方法，其中R1和R2分别是氢、C1-6烷基或C1-6卤代烷基；R3是氢、卤素、C1-6烷基或C1-6烷氧基；R4是氢或卤素；R5是单氨基酸或双氨基酸基团、琥珀酸基团、尿素基团或其衍生物。该发明还提供了包含化合物I的药物组合物，以及制备和使用该药物组合物的方法。
• Antiviral nucleosides
  申请人：Sarma Keshab

  公开号：US20070232562A1

  公开（公告）日：2007-10-04

  Compounds having the formula I wherein R 1 is as herein defined are Hepatitis C virus NS5b polymerase inhibitors. Also disclosed are compositions and methods for inhibiting hepatitis replication, processes for making the compounds and synthetic intermediates used in the process

  具有公式I的化合物，其中R1如本文所定义，是丙型肝炎病毒NS5b聚合酶抑制剂。还公开了用于抑制肝炎复制的组合物和方法，制备化合物的工艺以及工艺中使用的合成中间体。
• [EN] HETEROCYCLIC ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX HÉTÉROCYCLIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012020037A1

  公开（公告）日：2012-02-16

  Compounds having the formula (I) wherein R1, R2, R3 and X are as defined herein are Hepatitis C virus NS5b polymerase inhibitors. Also disclosed are compositions and methods for treating an HCV infection and inhibiting HCV replication.

  具有化学式（I）的化合物，其中R1、R2、R3和X的定义如下，是丙型肝炎病毒NS5b聚合酶抑制剂。还公开了用于治疗HCV感染和抑制HCV复制的组合物和方法。