N-(9-{(3S,5S,6R)-6-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-hydroxy-tetrahydro-pyran-3-yl}-9H-purin-6-yl)-benzamide | 176786-74-6

• 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: N-(9-{(3S,5S,6R)-6-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-hydroxy-tetrahydro-pyran-3-yl}-9H-purin-6-yl)-benzamide
• CAS: 176786-74-6
• 化学式: C₃₉H₃₇N₅O₆
• 分子量: 671.753
• InChiKey: SCZWATPYSDRHAS-CHHQVBBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 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：
  0.23
• 拓扑面积：
  129.85
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  丁二酸酐 、 N-(9-{(3S,5S,6R)-6-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-hydroxy-tetrahydro-pyran-3-yl}-9H-purin-6-yl)-benzamide 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 48.0h， 以85%的产率得到Succinic acid mono-{(2R,3S,5S)-5-(6-benzoylamino-purin-9-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-pyran-3-yl} ester
  参考文献：
  名称：

  1′, 5′ -Anhydrohexitol Oligonucleotides: Synthesis, Base Pairing and Recognition by Regular Oligodeoxyribonucleotides and Oligoribonucleotides

  摘要：

  AbstractOligonucleotides constructed of 1′, 5′‐anhydrohexitol nucleoside building blocks (hexitol nucleic acids, HNA) are completely stable towards 3′‐exonuclease and form very stable self‐complementary duplexes as well as sequence‐selective stable duplexes with the natural DNA and RNA. Triple‐helix formation has also been observed. These hybridisation characteristics are highly dependent on the base sequence and the experimental conditions. When using a phosphate buffer containing 0.1M NaCl, a homopurine HNA dodecamer gives a δTm of +3.0 °C/ base pair with RNA as complement. These oligomers may therefore be of considerable interest as antisense constructs.

  DOI：

  10.1002/chem.19970030118
• 作为产物：
  描述：

  N-[9-((4aR,7S,8aS)-2-Phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl)-9H-purin-6-yl]-benzamide 在 吡啶 、 溶剂黄146 作用下， 反应 21.0h， 生成 N-(9-{(3S,5S,6R)-6-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-hydroxy-tetrahydro-pyran-3-yl}-9H-purin-6-yl)-benzamide
  参考文献：
  名称：

  1′, 5′ -Anhydrohexitol Oligonucleotides: Synthesis, Base Pairing and Recognition by Regular Oligodeoxyribonucleotides and Oligoribonucleotides

  摘要：

  AbstractOligonucleotides constructed of 1′, 5′‐anhydrohexitol nucleoside building blocks (hexitol nucleic acids, HNA) are completely stable towards 3′‐exonuclease and form very stable self‐complementary duplexes as well as sequence‐selective stable duplexes with the natural DNA and RNA. Triple‐helix formation has also been observed. These hybridisation characteristics are highly dependent on the base sequence and the experimental conditions. When using a phosphate buffer containing 0.1M NaCl, a homopurine HNA dodecamer gives a δTm of +3.0 °C/ base pair with RNA as complement. These oligomers may therefore be of considerable interest as antisense constructs.

  DOI：

  10.1002/chem.19970030118