2-[(2R,4R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-pyrrolidin-1-yl]-N-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-acetamide | 340981-86-4

• 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-[(2R,4R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-pyrrolidin-1-yl]-N-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-acetamide
• CAS: 340981-86-4
• 化学式: C₄₃H₄₈N₆O₁₀
• 分子量: 808.888
• InChiKey: OEPXOUCQXGGSJJ-YTCCUKOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.11
• 重原子数：
  59.0
• 可旋转键数：
  14.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  199.21
• 氢给体数：
  4.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  双(二异丙基氨基)(2-氰基乙氧基)膦 、 2-[(2R,4R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-pyrrolidin-1-yl]-N-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-acetamide 以 乙腈 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Pyrrolidine Nucleic Acids:  DNA/PNA Oligomers with 2-Hydroxy/Aminomethyl- 4-(thymin-1-yl)pyrrolidine-N-acetic acid

  摘要：

  [GRAPHICS]Synthesis of pyrrolidine-based chiral positively charged DNA analogues is reported, The synthesis of (2S,4S) and (2R,4R) thymin-1-ylpyrrolidine-N-acetic acid, its site specific incorporation in PNA:DNA chimera and PNA, and the study of their binding properties with complementary DNA/RNA sequences is presented.

  DOI：

  10.1021/ol0069655
• 作为产物：
  描述：

  benzoic acid 2-({2-[2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-pyrrolidin-1-yl]-acetylamino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以90%的产率得到2-[(2R,4R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-pyrrolidin-1-yl]-N-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-acetamide
  参考文献：
  名称：

  Pyrrolidine Nucleic Acids:  DNA/PNA Oligomers with 2-Hydroxy/Aminomethyl- 4-(thymin-1-yl)pyrrolidine-N-acetic acid

  摘要：

  [GRAPHICS]Synthesis of pyrrolidine-based chiral positively charged DNA analogues is reported, The synthesis of (2S,4S) and (2R,4R) thymin-1-ylpyrrolidine-N-acetic acid, its site specific incorporation in PNA:DNA chimera and PNA, and the study of their binding properties with complementary DNA/RNA sequences is presented.

  DOI：

  10.1021/ol0069655