8-[(coumarin-3'-yl)methylthio]guanosine | 1328880-82-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 8-[(coumarin-3'-yl)methylthio]guanosine
• CAS: 1328880-82-5
• 化学式: C₂₀H₁₉N₅O₇S
• 分子量: 473.466
• InChiKey: ZLYQVSPLNOZTAO-LSCFUAHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.29
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  189.72
• 氢给体数：
  5.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  8-溴鸟苷 在 ammonium hydroxide 、 硫脲 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 0.25h， 生成 8-[(coumarin-3'-yl)methylthio]guanosine
  参考文献：
  名称：

  Development of New Sulfur-Containing Conjugated Compounds as Anti-HCV Agents

  摘要：

  Various conjugated compounds containing a coumarin moiety and a heterocyclic nucleus were synthesized. Their activity against hepatitis C virus was tested on subgenomic replicon replication in Huh 5-2 cells. Some heterobicycle-coumarin conjugates with the -S-CH2-linker were found to possess appealing antiviral activities. The sulfur atom in these conjugated compounds was found to be an essential element to their antiviral activity.

  DOI：

  10.1080/10426507.2010.520284