1-{(2R,4S,5S)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[1,4]diazepan-1-yl-tetrahydro-furan-2-yl}-5-methyl-1H-pyrimidine-2,4-dione | 177898-46-3

• 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: 1-{(2R,4S,5S)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[1,4]diazepan-1-yl-tetrahydro-furan-2-yl}-5-methyl-1H-pyrimidine-2,4-dione
• CAS: 177898-46-3
• 化学式: C₃₆H₄₂N₄O₆
• 分子量: 626.753
• InChiKey: VNGNWGWIUIUTPC-WIHCDAFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.82
• 重原子数：
  46.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  107.05
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  1-{(2R,4S,5S)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[1,4]diazepan-1-yl-tetrahydro-furan-2-yl}-5-methyl-1H-pyrimidine-2,4-dione 在 N-羟基丁二酰亚胺 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 61.0h， 生成
  参考文献：
  名称：

  Incorporation of amide linked thymidine dimers into oligodeoxynucleotides

  摘要：

  The synthesis of thymidine dimers in which the phosphodiester linkage has been replaced by an amide linkage containing diamines (homopiperazine, 2,5-trans-dimethylpiperazine, N,N-dimethylethylenediamine and N,N-diethylethylenediamine) and their incorporation into oligodeoxynucleotides is described. The thermal and nucleolytic stability of the resulting oligodeoxynucleotide analogues are reported. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00159-x
• 作为产物：
  描述：

  高哌嗪 、 1-(2'-deoxy-3'-O-mesyl-5'-O-4,4'-dimethoxytrityl-β-D-threo-pentofuranosyl)-thymine 在 吡啶 作用下， 反应 72.0h， 以28%的产率得到1-{(2R,4S,5S)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[1,4]diazepan-1-yl-tetrahydro-furan-2-yl}-5-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Incorporation of amide linked thymidine dimers into oligodeoxynucleotides

  摘要：

  The synthesis of thymidine dimers in which the phosphodiester linkage has been replaced by an amide linkage containing diamines (homopiperazine, 2,5-trans-dimethylpiperazine, N,N-dimethylethylenediamine and N,N-diethylethylenediamine) and their incorporation into oligodeoxynucleotides is described. The thermal and nucleolytic stability of the resulting oligodeoxynucleotide analogues are reported. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00159-x