| 161084-70-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• CAS: 161084-70-4
• 化学式: C₄₀H₆₁N₆O₆P
• 分子量: 752.935
• InChiKey: MJQQZUDGRCMMOD-FBEKHYTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.41
• 重原子数：
  53.0
• 可旋转键数：
  15.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  164.33
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 碘 作用下， 反应 0.5h， 生成 3'-azido-3'-deoxythymidine-5'-<(cholest-5-en-3β-yl) (β-cyanoethyl)> phosphate
  参考文献：
  名称：

  Synthesis and Anti-HIV Activity of Alkyl Steroidal 3′-Azido-3′-deoxythymidin-5′-yl Phosphotriesters as Prodrugs of AZT

  摘要：

  Alkyl steroidal AZT 5'-monophosphate triesters are designed as lipophilic prodrugs of AZT to improve its therapeutic efficiency. We have synthesized four phosphotriesters of AZT, in one-pot, using phosphoramidite-phosphite triester methodology. This method afforded the desired prodrugs in high yields under mild conditions. The in vitro evaluation of anti-HIV activity of these prodrugs is also reported.

  DOI：

  10.1080/15257779408010667
• 作为产物：
  描述：

  齐多夫定 在 四氮唑 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 0.34h， 生成
  参考文献：
  名称：

  Synthesis and Anti-HIV Activity of Alkyl Steroidal 3′-Azido-3′-deoxythymidin-5′-yl Phosphotriesters as Prodrugs of AZT

  摘要：

  Alkyl steroidal AZT 5'-monophosphate triesters are designed as lipophilic prodrugs of AZT to improve its therapeutic efficiency. We have synthesized four phosphotriesters of AZT, in one-pot, using phosphoramidite-phosphite triester methodology. This method afforded the desired prodrugs in high yields under mild conditions. The in vitro evaluation of anti-HIV activity of these prodrugs is also reported.

  DOI：

  10.1080/15257779408010667