tBu(iso)SATE d4T

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: tBu(iso)SATE d4T
• 英文别名: 2-[2-(2,2-dimethylpropanoyloxy)ethylsulfanyl-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]sulfanylethyl 2,2-dimethylpropanoate
• 化学式: C₂₄H₃₇N₂O₉PS₂
• 分子量: 592.672
• InChiKey: JPSQPAYUWJAMSP-ZWKOTPCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  38
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  188
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  司他夫定 在 四氮唑 、 叔丁基过氧化氢 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 tBu(iso)SATE d4T
  参考文献：
  名称：

  The Pronucleotide Approach. I. Synthesis, Anti-HIV Activity and Preliminary Stability Studies of MononucleosideS,S′-Bis(O-acyl-2-oxyethyl) Phosphorodithiolates

  摘要：

  The synthesis, in vitro anti-HIV activity, and preliminary stability studies of several mononucleoside phosphorodithiolate derivatives incorporating a new kind of biolabile phosphate-protection, namely O-pivaloyl-2-oxyethyl, are reported. Our preliminary results strongly support the hypothesis that such pronucleotides exert their biological effects via intracellular delivery of the corresponding 5'-mononucleotide.

  DOI：

  10.1080/07328319708006180

文献信息

• The Pronucleotide Approach. I. Synthesis, Anti-HIV Activity and Preliminary Stability Studies of Mononucleoside<i>S,S</i>′-Bis(O-acyl-2-oxyethyl) Phosphorodithiolates
  作者：N. Schlienger、C. Périgaud、G. Gosselin、I. Lefebvre、A. Pompon、A.-M. Aubertin、A. Kirn、J.-L. Imbach

  DOI：10.1080/07328319708006180

  日期：1997.7

  The synthesis, in vitro anti-HIV activity, and preliminary stability studies of several mononucleoside phosphorodithiolate derivatives incorporating a new kind of biolabile phosphate-protection, namely O-pivaloyl-2-oxyethyl, are reported. Our preliminary results strongly support the hypothesis that such pronucleotides exert their biological effects via intracellular delivery of the corresponding 5'-mononucleotide.