N-[2-(1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-oxo-1,2-dihydro-pyrimidin-4-ylamino)-ethyl]-2,2,2-trifluoro-acetamide | 854933-60-1

• 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-[2-(1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-oxo-1,2-dihydro-pyrimidin-4-ylamino)-ethyl]-2,2,2-trifluoro-acetamide
• CAS: 854933-60-1
• 化学式: C₃₄H₃₅F₃N₄O₇
• 分子量: 668.67
• InChiKey: JKTROKSHVSLLLH-PKZQBKLLSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  48.0
• 可旋转键数：
  13.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  133.17
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  N-[2-(1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-oxo-1,2-dihydro-pyrimidin-4-ylamino)-ethyl]-2,2,2-trifluoro-acetamide 、 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， 以69%的产率得到Diisopropyl-phosphoramidous acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-{2-oxo-4-[2-(2,2,2-trifluoro-acetylamino)-ethylamino]-2H-pyrimidin-1-yl}-tetrahydro-furan-3-yl ester 2-cyano-ethyl ester
  参考文献：
  名称：

  Phototriggering of Caged Fluorescent Oligodeoxynucleotides

  摘要：

  We describe a synthetic route for incorporating a photocleavable (PC) DABSYL moiety and fluorescein at adjacent cytidines in the middle of a 25-mer oligodeoxynucleotide. In hybridization studies, both fluorescein and the photocleavable DABSYL reduced the T-m about 6 degreesC separately. UV irradiation (355 nm, 2 min) removed the PC-DABSYL moiety, which increased the fluorescence intensity 51-fold and restored the melting temperature. Caged fluorescent oligodeoxynucleotides (CFOs) will allow many DNA processes to be controlled with light.

  DOI：

  10.1021/ol047729n
• 作为产物：
  描述：

  N-{1-[(2R,4S,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-2-oxo-1,2-dihydro-pyrimidin-4-yl}-4-methyl-benzenesulfonamide 在 吡啶 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N-[2-(1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-oxo-1,2-dihydro-pyrimidin-4-ylamino)-ethyl]-2,2,2-trifluoro-acetamide
  参考文献：
  名称：

  Phototriggering of Caged Fluorescent Oligodeoxynucleotides

  摘要：

  We describe a synthetic route for incorporating a photocleavable (PC) DABSYL moiety and fluorescein at adjacent cytidines in the middle of a 25-mer oligodeoxynucleotide. In hybridization studies, both fluorescein and the photocleavable DABSYL reduced the T-m about 6 degreesC separately. UV irradiation (355 nm, 2 min) removed the PC-DABSYL moiety, which increased the fluorescence intensity 51-fold and restored the melting temperature. Caged fluorescent oligodeoxynucleotides (CFOs) will allow many DNA processes to be controlled with light.

  DOI：

  10.1021/ol047729n