5'-O-dimethoxytrityl-6-N-(4,9,13-triazatridecane-1-yl)-2'-deoxyadenosine | 259141-08-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 5'-O-dimethoxytrityl-6-N-(4,9,13-triazatridecane-1-yl)-2'-deoxyadenosine
• 英文别名: (2R,3S,5R)-5-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]purin-9-yl]-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-ol
• CAS: 259141-08-7
• 化学式: C₄₁H₅₄N₈O₅
• 分子量: 738.93
• InChiKey: FTFACEDPBDQTSD-HKIDPNTFSA-N

物化性质

• 沸点：
  916.2±75.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  54
• 可旋转键数：
  22
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  163
• 氢给体数：
  5
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  5'-O-dimethoxytrityl-6-N-(4,9,13-triazatridecane-1-yl)-2'-deoxyadenosine 在 吡啶 、 四氮唑 作用下， 生成 N-[3-[4-[3-[[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]amino]propyl-(2,2,2-trifluoroacetyl)amino]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Synthesis of Polyaminooligonucleotides and Their Combinatorial Libraries

  摘要：

  A synthesis of phosphoramidites of 2'-deqxyadenosine and 2'-deoxyguanosine carrying a protected spermine moiety at N-6 and N-2 positions respectively is described. An approach to analyse properties of polyaminooligonucleotides using their synthetic combinatorial libraries is described and discussed. A synthesis of a polyaminooligonucleotide combinatorial library was carried out and the analysis of the library clearly showed that the presence of spermine moieties in oligodeoxyribonucleotides increases stability of their complexes.

  DOI：

  10.1080/07328319908044749
• 作为产物：
  描述：

  5'-O-dimethoxytrityl-6-N-[tris(N,N',N"-trifluoroacetyl)-4,9,13-triazadecane-1-yl]-2'-deoxyadenosine 在 ammonium hydroxide 作用下， 以 吡啶 为溶剂， 生成 5'-O-dimethoxytrityl-6-N-(4,9,13-triazatridecane-1-yl)-2'-deoxyadenosine
  参考文献：
  名称：

  Synthetic Oligonucleotide Combinatorial Libraries. 3. Synthesis of Polyamevonucleosides

  摘要：

  Synthesis of polyamino-2'-deoxynucleosides was studied. A synthesis of 2'-deoxyadenosine and 2'-deoxyguanosine derivatives carrying a protected spermine moiety at N-6 and N-2 positions respectively is described using unprotected polyamines as substrates. The question of reactivity of primary and secondary amino groups present in polyamines was studied. The evidence that only primary amino groups react with the synthesised precursors was accomplished from experiments with a secondary amine (di-n-butylamine). An approach to analyse properties of polyaminooligonucleotides using their synthetic combinatorial libraries is discussed.

  DOI：

  10.1080/07328319908044615