N-[2-(2-Amino-9-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-6-oxo-6,9-dihydro-1H-purin-8-ylamino)-ethyl]-2,2,2-trifluoro-acetamide | 844694-30-0

• 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-(2-Amino-9-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-6-oxo-6,9-dihydro-1H-purin-8-ylamino)-ethyl]-2,2,2-trifluoro-acetamide
• CAS: 844694-30-0
• 化学式: C₃₅H₃₆F₃N₇O₇
• 分子量: 723.709
• InChiKey: ZMAAWMJKHYYSMY-OYUWMTPXSA-N

物化性质

• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.47
• 重原子数：
  52.0
• 可旋转键数：
  13.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  187.87
• 氢给体数：
  5.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  N-[2-(2-Amino-9-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-6-oxo-6,9-dihydro-1H-purin-8-ylamino)-ethyl]-2,2,2-trifluoro-acetamide 在 四氮唑 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.0h， 生成 3'-(O-cyanoethyl-N,N-diisopropylphosphoramidite)-8-[2-(N-trifluoroacetylamino)ethyl]amino-2-(N,N-dimethylaminomethylidenyl)amino-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine
  参考文献：
  名称：

  A Nucleobase that Releases Reporter Tags upon DNA Oxidation

  摘要：

  We have developed a novel nucleosbase, edaG, that efficiently releases various reporter units upon one-electron oxidation. The edaG-selective degradation of ODNs was achieved by various mild oxidizing agents. The oxidant-dependent molecular releasing technique is quite useful not only for DNA-based drug releasing systems but also for the detection of long-range hole transport through DNA without time-consuming analysis.

  DOI：

  10.1021/ja038169a
• 作为产物：
  描述：

  8-bromo-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 9.0h， 生成 N-[2-(2-Amino-9-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-6-oxo-6,9-dihydro-1H-purin-8-ylamino)-ethyl]-2,2,2-trifluoro-acetamide
  参考文献：
  名称：

  A Nucleobase that Releases Reporter Tags upon DNA Oxidation

  摘要：

  We have developed a novel nucleosbase, edaG, that efficiently releases various reporter units upon one-electron oxidation. The edaG-selective degradation of ODNs was achieved by various mild oxidizing agents. The oxidant-dependent molecular releasing technique is quite useful not only for DNA-based drug releasing systems but also for the detection of long-range hole transport through DNA without time-consuming analysis.

  DOI：

  10.1021/ja038169a

文献信息

• NUCLEOSIDE CAPABLE OF RELEASING FUNCTIONAL UNIT THROUGH OXIDATION AND PROCESS FOR PRODUCING OLIGONUCLEOTIDE CONTAINING THE SAME
  申请人：Japan Science and Technology Agency

  公开号：EP1652852B1

  公开（公告）日：2011-03-30