8,9-dihydro-10-(9-(2-hydroxy-3-phenoxypropyl)-9H-purine-6-yl)-8-imino-5-(4-nitro phenyl)pyrimido [4,5-b][1,6]naphtyridin-2,4,6(1H,3H,5H,7H,10H)trione | 1422054-95-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 8,9-dihydro-10-(9-(2-hydroxy-3-phenoxypropyl)-9H-purine-6-yl)-8-imino-5-(4-nitro phenyl)pyrimido [4,5-b][1,6]naphtyridin-2,4,6(1H,3H,5H,7H,10H)trione
• 英文别名: 2-[9-(2-Hydroxy-3-phenoxypropyl)purin-6-yl]-9-(4-nitrophenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-5,7,11,13-tetrone
• CAS: 1422054-95-2
• 化学式: C₂₉H₂₂N₁₀O₈
• 分子量: 638.556
• InChiKey: KHGMSTACJFIYCA-UHFFFAOYSA-N

物化性质

• 密度：
  1.81±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  47
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  239
• 氢给体数：
  5
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  腺嘌呤 在 phosphotungstic acid 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 8.0h， 生成 8,9-dihydro-10-(9-(2-hydroxy-3-phenoxypropyl)-9H-purine-6-yl)-8-imino-5-(4-nitro phenyl)pyrimido [4,5-b][1,6]naphtyridin-2,4,6(1H,3H,5H,7H,10H)trione
  参考文献：
  名称：

  Nucleosides as reagents in multicomponent reactions: one-pot synthesis of heterocyclic nucleoside analogues incorporating pyrimidine-fused rings

  摘要：

  In this study, a general and efficient protocol for the synthesis of new heterocyclic nucleoside analogues (HNAs), using a four-component coupling reaction of nucleosides, aldehydes, barbituric acid/2-thiobarbituric acid, or dimedone is described. The synthesized HNAs contain a pyrimidine-fused heterocycle coupled to the nucleoside via a C-N linkage. The nucleosides served as amine components and underwent the reaction in the presence of a catalytic amount of tungstophosphoric acid (H3PW12O40, TPA) in EtOH. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.003