[(3aR,4R,6R,6aR)-4-[2-[(dibenzylamino)methylideneamino]-6-oxo-1H-purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate | 206852-90-6

• 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: [(3aR,4R,6R,6aR)-4-[2-[(dibenzylamino)methylideneamino]-6-oxo-1H-purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
• CAS: 206852-90-6
• 化学式: C₃₄H₃₂N₆O₆
• 分子量: 620.665
• InChiKey: XQNSJNDNCZYNAI-UTVDSUKMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [(3aR,4R,6R,6aR)-4-[2-[(dibenzylamino)methylideneamino]-6-oxo-1H-purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate 在 palladium dihydroxide 、 palladium on activated charcoal 氨 、 氢气 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲醇 为溶剂， 生成 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：

  鸟苷 在 4-二甲氨基吡啶 、 三乙胺 、 zinc(II) chloride 作用下， 生成 [(3aR,4R,6R,6aR)-4-[2-[(dibenzylamino)methylideneamino]-6-oxo-1H-purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
  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