1-{(3S,5S,6R)-6-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-hydroxy-tetrahydro-pyran-3-yl}-5-methyl-1H-pyrimidine-2,4-dione | 176786-73-5

• 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: 1-{(3S,5S,6R)-6-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-hydroxy-tetrahydro-pyran-3-yl}-5-methyl-1H-pyrimidine-2,4-dione
• CAS: 176786-73-5
• 化学式: C₃₂H₃₄N₂O₇
• 分子量: 558.631
• InChiKey: YPTRIAVOXHFFEJ-OWPQXHQJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  41.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  112.01
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  丁二酸酐 、 1-{(3S,5S,6R)-6-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-hydroxy-tetrahydro-pyran-3-yl}-5-methyl-1H-pyrimidine-2,4-dione 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 48.0h， 以68%的产率得到Succinic acid mono-[(2R,3S,5S)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-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：

  4,4'-双甲氧基三苯甲基氯 、 1,5-Anhydro-2,3-dideoxy2-(thymin-1-yl)-D-arabinohexitol 在 吡啶 作用下， 以52%的产率得到1-{(3S,5S,6R)-6-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-hydroxy-tetrahydro-pyran-3-yl}-5-methyl-1H-pyrimidine-2,4-dione
  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

文献信息

• Compounds and oligomeric compounds comprising novel nucleobases
  申请人：——

  公开号：US20040033973A1

  公开（公告）日：2004-02-19

  The present invention relates to nucleoside compositions comprising novel nucleobases and oligomeric compounds comprising at least one such nucleoside. These oligomeric compounds typically have enhanced binding affinity properties compared to oligomeric compounds without the modification. The oligomeric compounds are useful, for example, for investigative and therapeutic purposes.

  本发明涉及包含新型核碱基的核苷酸组合物以及包含至少一种此类核苷酸的寡聚合物化合物。这些寡聚合物化合物通常具有比没有这种修饰的寡聚合物化合物更强的结合亲和性能。这些寡聚合物化合物可用于调查和治疗等用途。