3-ethynyl-1-(β-D-ribofuranosyl)-[1,2,4]triazole | 1028803-48-6

• 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: 3-ethynyl-1-(β-D-ribofuranosyl)-[1,2,4]triazole
• 英文别名: 1-beta-d-Ribofuranosyl-3-ethynyl-[1,2,4] triazole；(2R,3R,4S,5R)-2-(3-ethynyl-1,2,4-triazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• CAS: 1028803-48-6
• 化学式: C₉H₁₁N₃O₄
• 分子量: 225.204
• InChiKey: ZCYWFUPNZBYYLW-ZOQUXTDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-ethynyl-1-(2',3',5'-tris(O-tert.-butyldimethylsilyl)-β-D-ribofuranosyl)-1,2,4-triazole 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以82%的产率得到3-ethynyl-1-(β-D-ribofuranosyl)-[1,2,4]triazole
  参考文献：
  名称：

  [EN] AZOLE NUCLEOSIDES AND USE AS INHIBITORS OF RNA AND DNA VARIAL POLYMERASES
  [FR] NUCLEOSIDES D'AZOLE ET UTILISATION EN TANT QU'INHIBITEURS DE POLYMERASES D'ARN ET D'ADN VIRAL

  摘要：

  公开号：

  WO2008067002A3

文献信息

• AZOLE NUCLEOSIDES AND USE AS INHIBITORS OF RNA AND DNA VARIAL POLYMERASES
  申请人：Southern Research Institute

  公开号：EP2061316A2

  公开（公告）日：2009-05-27
• AZOLE NUCLEOSIDES AND USE AS INHIBITORS OF RNA AND DNA VIRAL POLYMERASES
  申请人：Arterburn Jeffrey B.

  公开号：US20100129317A1

  公开（公告）日：2010-05-27

  Azole nucleosides represented by the formulae (I) and (II); wherein A=C or N B═C or N X═H; C 1 -C 6 alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aryl, heterocyclo, halogen such as F, Cl, Br and I; OH, NH 2 , NH—(C 1 -C 6 alkyl, cycloalkyl, aryl or heterocyclo); Z═H; C 1 -C 6 alkyl, cycloalkyl, alkynyl, aryl, heterocyclo, halogen such as F, Cl, Br, I; OH NH 2 , NH—(C 1 -C 6 alkyl, cycloalkyl, aryl or heterocyclo; E=(CH 2 )HONHR; n is an interger from 0-6 and more typically 0-3; R 1= aryl or heterocyclo; each of W, Y, R is individually selected from the group consisting of H; C 1 -C 6 alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aryl, heterocyclo, halogen such as F, Cl, Br, and I; O, OH, Oalkyl, Oaryl, NH 2 , NH(C 1 -C 6 alkyl, cycloalkyl, aryl or heterocyclo); provided that at least one of W, Y, and R is other than H and wherein both W and Y together can be ═O; and each D individually is OH, Oalkyl, Oaryl, FL and H; pharmaceutically acceptable salts thereof, prodrugs thereof and mixtures thereof are provided. Compounds of this disclosure are useful as inhibitors of viral RNA and DNA polymerases such as, but not limited to, Influenza, hantaan Virus, Crimean Congo hemorrhagic fever virus, hepatitis B, hepatitis C, Polio, Coxsackie A and B, Rhino, Echo, orthopoxvirus (small pox), HIV, Ebola, and West Nile virus polymerases; and especially orthopoxvirus, HIV, and hepatitis B.
• [EN] AZOLE NUCLEOSIDES AND USE AS INHIBITORS OF RNA AND DNA VARIAL POLYMERASES<br/>[FR] NUCLEOSIDES D'AZOLE ET UTILISATION EN TANT QU'INHIBITEURS DE POLYMERASES D'ARN ET D'ADN VIRAL
  申请人：SOUTHERN RES INST

  公开号：WO2008067002A3

  公开（公告）日：2008-11-06