N-(9-(2-(((2S,3S)-1-(bis(4-methoxyphenyl)(phenyl)methoxy)-3-hydroxybutan-2-yl)amino)-2-oxoethyl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide | 1253933-49-1

• 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: N-(9-(2-(((2S,3S)-1-(bis(4-methoxyphenyl)(phenyl)methoxy)-3-hydroxybutan-2-yl)amino)-2-oxoethyl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide
• CAS: 1253933-49-1
• 化学式: C₃₆H₄₀N₆O₇
• 分子量: 668.75
• InChiKey: AGUSRHUKMGACBJ-IADCTJSHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  49.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  169.69
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  N-(9-(2-(((2S,3S)-1-(bis(4-methoxyphenyl)(phenyl)methoxy)-3-hydroxybutan-2-yl)amino)-2-oxoethyl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide 、 双(二异丙基氨基)(2-氰基乙氧基)膦 在 四氮唑 作用下， 以 乙腈 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  Unexpectedly Stable Artificial Duplex from Flexible Acyclic Threoninol

  摘要：

  A new foldamer, acyclic threoninol nucleic acid (aTNA), has been synthesized by tethering each of the genetic nucleobases A, G, C, and T to D- threoninol molecules, which were then incorporated as building blocks into a scaffold bearing phosphodiester linkages. We found that with its fully complementary strand in an antiparallel fashion, the aTNA oligomer forms an exceptionally stable duplex that is far more stable than corresponding DNA or RNA duplexes, even though single-stranded aTNA is rather flexible and thus does not take a preorganized structure.

  DOI：

  10.1021/ja105539u
• 作为产物：
  描述：

  4,4'-dimethoxytrityl-L-threoninol 、 2-(2-异丁酰胺-6-氧代-1H-嘌呤-9(6h)-基)乙酸 在 1-羟基苯并三唑 、 1,2-二氯乙烷 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以68.3%的产率得到N-(9-(2-(((2S,3S)-1-(bis(4-methoxyphenyl)(phenyl)methoxy)-3-hydroxybutan-2-yl)amino)-2-oxoethyl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide
  参考文献：
  名称：

  Unexpectedly Stable Artificial Duplex from Flexible Acyclic Threoninol

  摘要：

  A new foldamer, acyclic threoninol nucleic acid (aTNA), has been synthesized by tethering each of the genetic nucleobases A, G, C, and T to D- threoninol molecules, which were then incorporated as building blocks into a scaffold bearing phosphodiester linkages. We found that with its fully complementary strand in an antiparallel fashion, the aTNA oligomer forms an exceptionally stable duplex that is far more stable than corresponding DNA or RNA duplexes, even though single-stranded aTNA is rather flexible and thus does not take a preorganized structure.

  DOI：

  10.1021/ja105539u