1-[(2R,4S,5S)-4-azido-5-[[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy-oxidophosphaniumyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione | 863992-50-1

• 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
• 英文名称: 1-[(2R,4S,5S)-4-azido-5-[[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy-oxidophosphaniumyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• CAS: 863992-50-1
• 化学式: C₂₉H₄₀N₅O₇P
• 分子量: 601.64
• InChiKey: RLZNEAZGDDDGBM-YQYVTPMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  132
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-[(2R,4S,5S)-4-azido-5-[[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy-oxidophosphaniumyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione 在 吡啶 、 selenium 作用下， 以 水 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Synthesis of Novel Steroidal Bioconjugates of Phospholipid with AZT

  摘要：

  Some novel asymmetry steroidal bioconjugates of phospholipid with AZT were synthesized by oxidation or conjugation with amines using Atherton-Todd reaction, and the structures were confirmed based on spectral methods. The result shown that some of bioconjugates possess activity against breast cancer MCF-7 in bioassay.

  DOI：

  10.1080/10426500701764874
• 作为产物：
  描述：

  、 齐多夫定 在 吡啶 作用下， 生成 1-[(2R,4S,5S)-4-azido-5-[[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy-oxidophosphaniumyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of Novel Steroidal Bioconjugates of Phospholipid with AZT

  摘要：

  Some novel asymmetry steroidal bioconjugates of phospholipid with AZT were synthesized by oxidation or conjugation with amines using Atherton-Todd reaction, and the structures were confirmed based on spectral methods. The result shown that some of bioconjugates possess activity against breast cancer MCF-7 in bioassay.

  DOI：

  10.1080/10426500701764874

文献信息

• Synthesis of Novel Dimeric Steroidal-nucleoside Phosphoramidates
  作者：Sanhao Ji、Qiang Xiao、Yong Ju、Yufen Zhao

  DOI：10.1246/cl.2005.944

  日期：2005.7

  Some dimeric steroidal conjugated with 3′-azido-3′-deoxythymidine (AZT) as potential membrane-soluble prodrugs of the phosphate forms were synthesized in good yields and the structures were confirm...

  以良好的收率合成了一些与 3'-叠氮基-3'-脱氧胸苷 (AZT) 结合的二聚体甾体化合物作为磷酸酯形式的潜在膜溶性前药，并确认了结构......