[(3aR,4R,6R,6aR)-6-(6-{[Bis-(4-methoxy-phenyl)-phenyl-methyl]-amino}-purin-9-yl)-2-methoxy-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-methanol | 536725-66-3

• 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: [(3aR,4R,6R,6aR)-6-(6-{[Bis-(4-methoxy-phenyl)-phenyl-methyl]-amino}-purin-9-yl)-2-methoxy-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-methanol
• CAS: 536725-66-3
• 化学式: C₃₃H₃₃N₅O₇
• 分子量: 611.654
• InChiKey: FAZRFSRBDVJRRH-LKXJRCSXSA-N

物化性质

• 沸点：
  789.8±70.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  45.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  131.24
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  [(3aR,4R,6R,6aR)-6-(6-{[Bis-(4-methoxy-phenyl)-phenyl-methyl]-amino}-purin-9-yl)-2-methoxy-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-methanol 在 吡啶 、 四氮唑 、 H₂O₂P*C₅H₅N 、 2,4,5,6-四甲基苯二磺酸氯 作用下， 反应 1.5h， 生成
  参考文献：
  名称：

  Synthesis of TMG-capped RNA–DNA chimeric oligonucleotides

  摘要：

  This paper deals with the synthesis of m(3)(2,2.7)G(5')pppAmpUmpApd(CpTpTpApCpCpT), a 5'-TMG-capped RNA-DNA chimeric oligonucleotide, which is expected to be conveyed to the nucleus by snurportin 1, a nuclear-transport protein. This 5'-TMG-capped RNA-DNA chimeric molecule was synthesized by the enzymatic condensation Of M(3)(2,2,7)G(5')pppAmpUmpA with A(5')ppd(CpTpTpApCpCpT) in the presence of RNA ligase. An inherent serious side reaction was disclosed in the 5'-adenylation of d(CpTpTpApCpCpT) on the solid support, but the use of an active ester intermediate as the pA donor gave an improved result. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)02828-9
• 作为产物：
  描述：

  4,4'-双甲氧基三苯甲基氯 、 2',3'-(methoxymethylidene)adenosine 在 吡啶 、 三甲基氯硅烷 、 4-二甲氨基吡啶 作用下， 反应 4.33h， 以62%的产率得到[(3aR,4R,6R,6aR)-6-(6-{[Bis-(4-methoxy-phenyl)-phenyl-methyl]-amino}-purin-9-yl)-2-methoxy-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-methanol
  参考文献：
  名称：

  Synthesis of TMG-capped RNA–DNA chimeric oligonucleotides

  摘要：

  This paper deals with the synthesis of m(3)(2,2.7)G(5')pppAmpUmpApd(CpTpTpApCpCpT), a 5'-TMG-capped RNA-DNA chimeric oligonucleotide, which is expected to be conveyed to the nucleus by snurportin 1, a nuclear-transport protein. This 5'-TMG-capped RNA-DNA chimeric molecule was synthesized by the enzymatic condensation Of M(3)(2,2,7)G(5')pppAmpUmpA with A(5')ppd(CpTpTpApCpCpT) in the presence of RNA ligase. An inherent serious side reaction was disclosed in the 5'-adenylation of d(CpTpTpApCpCpT) on the solid support, but the use of an active ester intermediate as the pA donor gave an improved result. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)02828-9