bis-(S-acetylthioethanol)phosphotriester-ddAMP | 159929-71-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: bis-(S-acetylthioethanol)phosphotriester-ddAMP
• 英文别名: SATE ddA；S-[2-[2-acetylsulfanylethoxy-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] ethanethioate
• CAS: 159929-71-2
• 化学式: C₁₈H₂₆N₅O₇PS₂
• 分子量: 519.539
• InChiKey: HEXCDKNCPCOTNK-LSDHHAIUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  208
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  2',3'-双脱氧腺苷 、 (S,S'-(((diisopropylamino)phosphanediyl)bis(oxy))bis(ethane-2,1-diyl)) diethanethioate 在 四氮唑 作用下， 生成 bis-(S-acetylthioethanol)phosphotriester-ddAMP
  参考文献：
  名称：

  bis(S-Acyl-2-thioethyl)esters of 2',3'-Dideoxyadenosine 5'-Monophosphate Are Potent Anti-HIV Agents in Cell Culture

  摘要：

  It is shown that ddA bis(SATE)phosphotriesters have potent anti-HIV activity in cell culture. Thus, compared with the parent nucleoside, a decrease of 3 or 4 orders of magnitude was observed in the EC(50) values for the bis(S-acetyl-2-thioethyl)phosphotriester derivative, which makes this compound as active as AZT.

  DOI：

  10.1080/15257779508012472

文献信息

• bis(S-Acyl-2-thioethyl)esters of 2',3'-Dideoxyadenosine 5'-Monophosphate Are Potent Anti-HIV Agents in Cell Culture
  作者：C. Périgaud、G. Gosselin、S. Benzaria、J. -L. Girardet、G. Maury、H. Pélicano、A. -M. Aubertin、A. Kirn、J. -L. Imbach

  DOI：10.1080/15257779508012472

  日期：1995.5.1

  It is shown that ddA bis(SATE)phosphotriesters have potent anti-HIV activity in cell culture. Thus, compared with the parent nucleoside, a decrease of 3 or 4 orders of magnitude was observed in the EC(50) values for the bis(S-acetyl-2-thioethyl)phosphotriester derivative, which makes this compound as active as AZT.