1-{(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-fluoro-4-hydroxy-tetrahydro-furan-2-yl}-5-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one | 607353-02-6

• 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: 1-{(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-fluoro-4-hydroxy-tetrahydro-furan-2-yl}-5-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
• CAS: 607353-02-6
• 化学式: C₃₁H₃₁FN₂O₆S
• 分子量: 578.661
• InChiKey: GQVJKPOXYMHBJU-LTGLEFCMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.84
• 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：
  0.29
• 拓扑面积：
  94.94
• 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-{(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-fluoro-4-hydroxy-tetrahydro-furan-2-yl}-5-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one 在 4-二甲氨基吡啶 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 18.0h， 生成 Succinic acid mono-[(2R,3R,4R,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-fluoro-5-(5-methyl-4-oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl] ester
  参考文献：
  名称：

  2‘-Modified-2-thiothymidine Oligonucleotides

  摘要：

  graphicOligonucleotides with novel modifications, 2'-O[2-(methoxy)ethyl]-2-thiothymidine and 2'-deoxy-2'-fluoro-2-thiothymidine, have been synthesized. These modified oligonucleotides exhibited very high thermal stability when hybridized with complementary RNA. 2-O-(2-Methoxy)ethyl-2-thiothymidine modified oligonucleotide phosphodiesters showed enhanced resistance toward nucleases (t(1/2) > 24 h), but 2'-deoxy-2'-fluoro-2-thiothymidine modified oligonucleotide phosphodiesters showed limited stablity to nucleotytic degradation.

  DOI：

  10.1021/ol0348607
• 作为产物：
  描述：

  4,4'-双甲氧基三苯甲基氯 在 吡啶 、 4-二甲氨基吡啶 、 硫化氢 、 四甲基胍 作用下， 以 吡啶 为溶剂， 反应 72.0h， 生成 1-{(2R,3R,4R,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-fluoro-4-hydroxy-tetrahydro-furan-2-yl}-5-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
  参考文献：
  名称：

  2‘-Modified-2-thiothymidine Oligonucleotides

  摘要：

  graphicOligonucleotides with novel modifications, 2'-O[2-(methoxy)ethyl]-2-thiothymidine and 2'-deoxy-2'-fluoro-2-thiothymidine, have been synthesized. These modified oligonucleotides exhibited very high thermal stability when hybridized with complementary RNA. 2-O-(2-Methoxy)ethyl-2-thiothymidine modified oligonucleotide phosphodiesters showed enhanced resistance toward nucleases (t(1/2) > 24 h), but 2'-deoxy-2'-fluoro-2-thiothymidine modified oligonucleotide phosphodiesters showed limited stablity to nucleotytic degradation.

  DOI：

  10.1021/ol0348607

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。