8-[2-(N-trifluoroacetylamino)ethyl]amino-2-(N,N-dimethylaminomethylidenyl)amino-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine | 656825-35-3

• 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: 8-[2-(N-trifluoroacetylamino)ethyl]amino-2-(N,N-dimethylaminomethylidenyl)amino-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine
• CAS: 656825-35-3
• 化学式: C₃₈H₄₁F₃N₈O₇
• 分子量: 778.788
• InChiKey: CHPYIMDNTMYQIM-FRXPANAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  56.0
• 可旋转键数：
  15.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  177.45
• 氢给体数：
  4.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  双(二异丙基氨基)(2-氰基乙氧基)膦 、 8-[2-(N-trifluoroacetylamino)ethyl]amino-2-(N,N-dimethylaminomethylidenyl)amino-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine 在 四氮唑 作用下， 以 乙腈 为溶剂， 反应 2.0h， 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：

  2-amino-8-(2-aminoethylamino)-9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one 在 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 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