3-[1-(2,4-Dinitro-phenyl)-1H-imidazol-4-yl]-N-{9-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-[2-(4-nitro-phenyl)-ethoxy]-9H-purin-2-yl}-propionamide | 157024-22-1

• 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: 3-[1-(2,4-Dinitro-phenyl)-1H-imidazol-4-yl]-N-{9-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-[2-(4-nitro-phenyl)-ethoxy]-9H-purin-2-yl}-propionamide
• CAS: 157024-22-1
• 化学式: C₃₀H₂₈N₁₀O₁₁
• 分子量: 704.613
• InChiKey: GGAXYSJWQHHLKI-BFLUCZKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.57
• 重原子数：
  51.0
• 可旋转键数：
  14.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  278.86
• 氢给体数：
  3.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  4,4'-双甲氧基三苯甲基氯 、 3-[1-(2,4-Dinitro-phenyl)-1H-imidazol-4-yl]-N-{9-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-[2-(4-nitro-phenyl)-ethoxy]-9H-purin-2-yl}-propionamide 在 吡啶 、 N,N-二异丙基乙胺 作用下， 生成 N-{9-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-6-[2-(4-nitro-phenyl)-ethoxy]-9H-purin-2-yl}-3-[1-(2,4-dinitro-phenyl)-1H-imidazol-4-yl]-propionamide
  参考文献：
  名称：

  Guanosine derivatives bearing an N2-3-imidazolepropionic acid

  摘要：

  Synthesis of a T-deoxyguanosine analog tethered through the exocyclic nitrogen via a 3 carbon chain to the 4-position of an imidazole is described. The imidazole forms a hydrogen bond with the 2'-hydroxyl group of a complementary cytosine bound as a Watson-Crick base pair.

  DOI：

  10.1016/s0040-4039(00)76823-7
• 作为产物：
  描述：

  3',5'-O-(tetraisopropyldisiloxane-1,3-diyl)-2'-deoxyguanosine 在 吡啶 、 四丁基氟化铵 、 溶剂黄146 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 3-[1-(2,4-Dinitro-phenyl)-1H-imidazol-4-yl]-N-{9-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-[2-(4-nitro-phenyl)-ethoxy]-9H-purin-2-yl}-propionamide
  参考文献：
  名称：

  Guanosine derivatives bearing an N2-3-imidazolepropionic acid

  摘要：

  Synthesis of a T-deoxyguanosine analog tethered through the exocyclic nitrogen via a 3 carbon chain to the 4-position of an imidazole is described. The imidazole forms a hydrogen bond with the 2'-hydroxyl group of a complementary cytosine bound as a Watson-Crick base pair.

  DOI：

  10.1016/s0040-4039(00)76823-7