6-N-carbamoyl-8-[(2-trimethylsilyl)ethylthio]deoxyadenosine | 1115066-48-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 6-N-carbamoyl-8-[(2-trimethylsilyl)ethylthio]deoxyadenosine
• CAS: 1115066-48-2
• 化学式: C₁₆H₂₆N₆O₄SSi
• 分子量: 426.572
• InChiKey: PMRAYSSSNANSCK-HBNTYKKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  148.41
• 氢给体数：
  4.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  6-N-carbamoyl-8-[(2-trimethylsilyl)ethylthio]deoxyadenosine 、 4,4'-双甲氧基三苯甲基氯 在 吡啶 作用下， 反应 5.0h， 以83%的产率得到6-N-carbamoyl-5'-O-(4,4'-dimethoxytrityl)-8-[(2-trimethylsilyl)ethylthio]deoxyadenosine
  参考文献：
  名称：

  Synthesis and Triplex Formation of Oligonucleotides Containing 8-Thioxodeoxyadenosine

  摘要：

  For more effective DNA triplex formation under neutral conditions, we synthesized triplex-forming oligonucleotides containing 8-thioxodeoxyadenosine (s(8)dA) residues in place of the protonated deoxycytidines required for the third base pairing with DNA duplexes. Consequently, it was found that s(8)dA exhibited much stronger hybridization ability than dC under neutral conditions when four s(8)dA bases were arranged in a consecutive sequence.

  DOI：

  10.1021/ol802622s
• 作为产物：
  描述：

  在 吡啶 、 氨 作用下， 反应 5.0h， 以1.4 g的产率得到6-N-carbamoyl-8-[(2-trimethylsilyl)ethylthio]deoxyadenosine
  参考文献：
  名称：

  Synthesis and Triplex Formation of Oligonucleotides Containing 8-Thioxodeoxyadenosine

  摘要：

  For more effective DNA triplex formation under neutral conditions, we synthesized triplex-forming oligonucleotides containing 8-thioxodeoxyadenosine (s(8)dA) residues in place of the protonated deoxycytidines required for the third base pairing with DNA duplexes. Consequently, it was found that s(8)dA exhibited much stronger hybridization ability than dC under neutral conditions when four s(8)dA bases were arranged in a consecutive sequence.

  DOI：

  10.1021/ol802622s