4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one | 215650-50-3

• 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: 4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
• CAS: 215650-50-3
• 化学式: C₄₀H₅₄N₆O₆
• 分子量: 714.905
• InChiKey: MXFPUVLWOANEKX-QOZRZDGHSA-N

物化性质

• 沸点：
  850.0±75.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  52.0
• 可旋转键数：
  22.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  154.15
• 氢给体数：
  5.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one 在 吡啶 、 四氮唑 作用下， 以 二氯甲烷 为溶剂， 反应 1.08h， 生成 5'-O-dimethoxytrityl-4-N-(tris(N,N',N"-trifluoroacetyl)-4,9,13-triazatridecane-1-yl)-2'-deoxycytidine 3'-phosphoramidite
  参考文献：
  名称：

  Synthesis of A Polyaminooligonucleotide Combinatorial Library

  摘要：

  A new method of synthesis of phosphoramidite of 2'-deoxycytydine carrying a protected spermine moiety at N-4 position is described. A model oligodeoxyribonucleotide containing the specified nucleoside unit has been synthesised. A synthesis of a polyaminooligonucleotide combinatorial library was carried out. The analysis of the above library clearly shows that the presence of spermine moieties in oligodeoxyribonucleotides increases stability of their duplexes.

  DOI：

  10.1080/07328319808004725
• 作为产物：
  描述：

  精胺 、 5'-O-dimethoxytrityl-4-N-p-toluenesulfonyl-2'-deoxycytidine 在 吡啶 作用下， 反应 17.0h， 生成 4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
  参考文献：
  名称：

  Synthesis of A Polyaminooligonucleotide Combinatorial Library

  摘要：

  A new method of synthesis of phosphoramidite of 2'-deoxycytydine carrying a protected spermine moiety at N-4 position is described. A model oligodeoxyribonucleotide containing the specified nucleoside unit has been synthesised. A synthesis of a polyaminooligonucleotide combinatorial library was carried out. The analysis of the above library clearly shows that the presence of spermine moieties in oligodeoxyribonucleotides increases stability of their duplexes.

  DOI：

  10.1080/07328319808004725