2-((((((2S,3S,5R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)amino)((((4-methoxyphenyl)diphenylmethyl)amino)methyl)phosphoryl)oxy)methyl)-4-methoxypyridine 1-oxide | 209255-42-5

• 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: 2-((((((2S,3S,5R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)amino)((((4-methoxyphenyl)diphenylmethyl)amino)methyl)phosphoryl)oxy)methyl)-4-methoxypyridine 1-oxide
• CAS: 209255-42-5
• 化学式: C₅₂H₅₀N₅O₁₀P
• 分子量: 935.97
• InChiKey: YCTKVGMTEROAPL-PNRSPRRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.05
• 重原子数：
  68.0
• 可旋转键数：
  17.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  186.15
• 氢给体数：
  3.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  2-((((((2S,3S,5R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)amino)((((4-methoxyphenyl)diphenylmethyl)amino)methyl)phosphoryl)oxy)methyl)-4-methoxypyridine 1-oxide 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以87%的产率得到
  参考文献：
  名称：

  Synthesis of DNA analogues with novel carboxamidomethyl phosphonamide and glycinamide internucleoside linkages

  摘要：

  Thymidine oligonucleotide analogues with phosphodiester bonds fully substituted by carboxamidomethyl phosphonamide, or glycinamide linkages were synthesized on a solid support, and their hybridization properties toward DNA and RNA targets were determined by Tm analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00153-x
• 作为产物：
  描述：

  9-芴甲醇 在 吡啶 、 硫化氢 、 1-(2,4,6-triisopropylbenzenesulfonyl)-3-nitro-1,2,4-triazole 作用下， 反应 1.75h， 生成 2-((((((2S,3S,5R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)amino)((((4-methoxyphenyl)diphenylmethyl)amino)methyl)phosphoryl)oxy)methyl)-4-methoxypyridine 1-oxide
  参考文献：
  名称：

  Synthesis of DNA analogues with novel carboxamidomethyl phosphonamide and glycinamide internucleoside linkages

  摘要：

  Thymidine oligonucleotide analogues with phosphodiester bonds fully substituted by carboxamidomethyl phosphonamide, or glycinamide linkages were synthesized on a solid support, and their hybridization properties toward DNA and RNA targets were determined by Tm analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00153-x