2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one | 259141-12-3

• 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: 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
• CAS: 259141-12-3
• 化学式: C₄₁H₅₄N₈O₆
• 分子量: 754.93
• InChiKey: URTCWEUHUBVDGS-LIVOIKKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  55
• 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：
  179
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one 在 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]-6-oxo-1H-purin-2-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-(4,4'-Dimethoxytrityl)-6-O-[2-(4-nitrophenyl)ethyl]-2'-deoxy-2-fluoroinosine 在 吡啶 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 反应 48.0h， 生成 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
  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