4-N-{6-[3-nitro-4-(trifluoroacetamidomethyl)]benzamidohexyl}-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine | 912558-44-2

• 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: 4-N-{6-[3-nitro-4-(trifluoroacetamidomethyl)]benzamidohexyl}-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine
• CAS: 912558-44-2
• 化学式: C₄₆H₄₉F₃N₆O₁₀
• 分子量: 902.924
• InChiKey: RCQPHRMRTADZOX-USBBMYKGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.41
• 重原子数：
  65.0
• 可旋转键数：
  21.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  205.41
• 氢给体数：
  4.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  4-N-{6-[3-nitro-4-(trifluoroacetamidomethyl)]benzamidohexyl}-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine 在 氨 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以93%的产率得到4-N-{6-[3-nitro-4-(aminomethyl)]benzamidohexyl}-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine
  参考文献：
  名称：

  4-Aminometyl-3-Nitrobenzoic Acid—A Photocleavable Linker for Oligonucleotides Containing Combinatorial Libraries

  摘要：

  We detail the design, synthesis, and characterization of an o-nitrobenzyl-based photolabile linker containing amine and carboxyl anchor groups. A model nucleoside monomer modified with an imidazole residue and a precursor unit linked to a heterocyclic base through a photolabile tether is constructed. Upon UV irradiation (373-365 nm), the imidazole containing part of this molecule is released.

  DOI：

  10.1080/15257770500230509
• 作为产物：
  描述：

  4-((2,2,2-trifluoroacetamido)methyl)benzoic acid 在 硫酸 、 硝酸 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 丙酮 为溶剂， 反应 5.0h， 生成 4-N-{6-[3-nitro-4-(trifluoroacetamidomethyl)]benzamidohexyl}-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine
  参考文献：
  名称：

  4-Aminometyl-3-Nitrobenzoic Acid—A Photocleavable Linker for Oligonucleotides Containing Combinatorial Libraries

  摘要：

  We detail the design, synthesis, and characterization of an o-nitrobenzyl-based photolabile linker containing amine and carboxyl anchor groups. A model nucleoside monomer modified with an imidazole residue and a precursor unit linked to a heterocyclic base through a photolabile tether is constructed. Upon UV irradiation (373-365 nm), the imidazole containing part of this molecule is released.

  DOI：

  10.1080/15257770500230509