| 1265907-42-3

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物
• CAS: 1265907-42-3
• 化学式: C₃₁H₃₂IN₃O₅
• 分子量: 653.517
• InChiKey: YKBAVACUPPHIPG-BCIHRMBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.97
• 重原子数：
  40.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  87.33
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 三氯乙腈 作用下， 反应 5.0h， 以72%的产率得到1-((2R,3S,4R,5R)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)-3-methyltetrahydrofuran-2-yl)-4-iodo-1H-imidazole-5-carbonitrile
  参考文献：
  名称：

  Tricyclic 2′-C-Modified Nucleosides as Potential Anti-HCV Therapeutics

  摘要：

  Promising biological activity in a number of therapeutic areas has been reported for both tricyclic nucleosides and 2'-modified nucleosides. In particular, disubstitution at the C-2' position of nucleosides has resulted in significant activity against the hepatitis C virus (HCV). Combining this with the observation that tricyclic nucleosides developed in our laboratory have been shown to inhibit the RNA-dependent RNA polymerase NS5B led to the design of a series of 2'-modified tricyclic nucleosides. Details of the synthesis, structural characterization, and preliminary biological results are reported.

  DOI：

  10.1021/ol101482h
• 作为产物：
  描述：

  在 吡啶 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以600 mg的产率得到
  参考文献：
  名称：

  Tricyclic 2′-C-Modified Nucleosides as Potential Anti-HCV Therapeutics

  摘要：

  Promising biological activity in a number of therapeutic areas has been reported for both tricyclic nucleosides and 2'-modified nucleosides. In particular, disubstitution at the C-2' position of nucleosides has resulted in significant activity against the hepatitis C virus (HCV). Combining this with the observation that tricyclic nucleosides developed in our laboratory have been shown to inhibit the RNA-dependent RNA polymerase NS5B led to the design of a series of 2'-modified tricyclic nucleosides. Details of the synthesis, structural characterization, and preliminary biological results are reported.

  DOI：

  10.1021/ol101482h