((3aR,4R,6R,6aR)-6-(1-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-2-(((dibenzylamino)methylene)amino)-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-phenyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl tribenzyl benzyliminodiphosphate | 206852-94-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: ((3aR,4R,6R,6aR)-6-(1-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-2-(((dibenzylamino)methylene)amino)-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-phenyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl tribenzyl benzyliminodiphosphate
• CAS: 206852-94-0
• 化学式: C₆₆H₆₈N₁₀O₁₂P₂
• 分子量: 1255.27
• InChiKey: QWBOQYHRMNDMLR-MIWOPQLZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.06
• 重原子数：
  90.0
• 可旋转键数：
  33.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  237.52
• 氢给体数：
  0.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  三乙胺 、 ((3aR,4R,6R,6aR)-6-(1-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-2-(((dibenzylamino)methylene)amino)-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-phenyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl tribenzyl benzyliminodiphosphate 在 palladium dihydroxide 、 palladium on activated charcoal 氢气 作用下， 以97%的产率得到1-<2-<2-(2-azidoethoxy)ethoxy>ethyl>-9-<5'-O-(imidodiphosphate)-β-D-ribofuranosyl>guanine bis-triethylammonium salt
  参考文献：
  名称：

  Synthesis of a functionalized GDP-analogue designed for anti-GDP antibody production

  摘要：

  An enzymatically stable analogue of GDP is prepared in 7 steps starting from guanosine. The guanine moiety is functionalized at the N-1 position so as to allow anchoring of the nucleotide onto a carrier protein for subsequent immunization of animals in order to raise antibodies against GDP. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00144-0
• 作为产物：
  描述：

  [(3aR,4R,6R,6aR)-4-[1-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2-[(dibenzylamino)methylideneamino]-6-oxopurin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate 在 氨 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲醇 为溶剂， 生成 ((3aR,4R,6R,6aR)-6-(1-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-2-(((dibenzylamino)methylene)amino)-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-phenyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl tribenzyl benzyliminodiphosphate
  参考文献：
  名称：

  Synthesis of a functionalized GDP-analogue designed for anti-GDP antibody production

  摘要：

  An enzymatically stable analogue of GDP is prepared in 7 steps starting from guanosine. The guanine moiety is functionalized at the N-1 position so as to allow anchoring of the nucleotide onto a carrier protein for subsequent immunization of animals in order to raise antibodies against GDP. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00144-0