(1R,3S,4R,7S)-3-(4-N-benzoyl-5-methylcytosin-1-yl)-1-(4,4'-dimethoxytrityl)oxymethyl-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptane | 427889-67-6

• 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: (1R,3S,4R,7S)-3-(4-N-benzoyl-5-methylcytosin-1-yl)-1-(4,4'-dimethoxytrityl)oxymethyl-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptane
• CAS: 427889-67-6
• 化学式: C₃₉H₃₇N₃O₈
• 分子量: 675.738
• InChiKey: CTGWFRQUULNNIN-TWLVHRCGSA-N

物化性质

• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  50.0
• 可旋转键数：
  11.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  130.37
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2-氰乙基N,N-二异丙基氯亚磷酰胺 、 (1R,3S,4R,7S)-3-(4-N-benzoyl-5-methylcytosin-1-yl)-1-(4,4'-dimethoxytrityl)oxymethyl-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptane 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以71.8 %的产率得到(1R,3S,4R,7S)-3-(4-N-benzoyl-5-methylcytosin-1-yl)-1-(4,4'-dimethoxytrityl)oxymethyl-7-(O-2-cyanoethyl-N,N-diisopropylphosphityl)oxy-2,5-dioxabicyclo[2.2.1]heptane
  参考文献：
  名称：

  Crosslinked Nucleoside Intermediate Crystal And Method For Producing Same, And Method For Producing Crosslinked Nucleoside Amidite

  摘要：

  A crystal of a compound represented by the following formula 5: in which R 1 represents a protecting group for a hydroxyl group, and R 2 represents a leaving group.

  公开号：

  US20220315617A1
• 作为产物：
  描述：

  胸腺嘧啶 在 20percent Pd(OH)2/C 吡啶 、 咪唑 、 4-二甲氨基吡啶 、 ammonium hydroxide 、 四丁基氟化铵 、 氢气 、 silver nitrate 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 321.75h， 生成 (1R,3S,4R,7S)-3-(4-N-benzoyl-5-methylcytosin-1-yl)-1-(4,4'-dimethoxytrityl)oxymethyl-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptane
  参考文献：
  名称：

  α-LNA (Locked Nucleic Acid withα-D-Configuration): Synthesis and Selective Parallel Recognition of RNA

  摘要：

  alpha-LNA is presented as a stereoisomer of LNA (locked nucleic acid) with alpha-D-configuration. Three different approaches towards the thymine a-LNA monomer as well as the 5-methylcytosine alpha-LNA monomer are presented. Different alpha-LNA sequences have been synthesised and their hybridisation with complementary DNA and RNA has been evaluated by means of thermal stability experiments and circular dichroism spectroscopy. In a mixed pyrimidine sequence, alpha-LNA displays unprecedented parallel-stranded and selective RNA binding. Furthermore, a remarkable selectivity for hybridisation with RNA over DNA is indicated.

  DOI：

  10.1002/1521-3765(20020201)8:3<712::aid-chem712>3.0.co;2-0