| 1250866-28-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1250866-28-4
• 化学式: C₉H₁₂I₂N₂O₄
• 分子量: 466.014
• InChiKey: BTYVDBVPZYMGHM-YEYCUWODSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.09
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  87.74
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 溴甲苯 在 sodium hydride 、 四丁基碘化铵 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以69.6%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
• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以76.3%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