N-[2-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide | 247096-83-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: N-[2-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
• CAS: 247096-83-9
• 化学式: C₃₀H₄₆F₆N₄O₇Si₂
• 分子量: 744.879
• InChiKey: CZWVPLFGOPBLPQ-BHDDXSALSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  49.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  131.96
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N-[2-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 以72%的产率得到N-[2-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Use of C5-Diamino-Substituted-Pyridine in Triple Helix Forming Oligonucleotides

  摘要：

  Triple helical structures can be observed between double-stranded nucleic acids and a third strand through the formation of Hoogsteen hydrogen bonds. We report here the synthesis and the preliminary evaluation of oligonucleotides incorporating 5[N-2-aminoethyl)-3 -aminopropynyl]-2'-deoxyuridine (1) under bar as well as its reduced analogue (2) under bar. Synthesis of two phosphoramidites (8) under bar and (9) under bar and the first melting temperature measurements are described.

  DOI：

  10.1080/07328319908044806
• 作为产物：
  描述：

  N¹-(prop-2-yn-1-yl)ethane-1,2-diamine 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 120.0h， 生成 N-[2-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Use of C5-Diamino-Substituted-Pyridine in Triple Helix Forming Oligonucleotides

  摘要：

  Triple helical structures can be observed between double-stranded nucleic acids and a third strand through the formation of Hoogsteen hydrogen bonds. We report here the synthesis and the preliminary evaluation of oligonucleotides incorporating 5[N-2-aminoethyl)-3 -aminopropynyl]-2'-deoxyuridine (1) under bar as well as its reduced analogue (2) under bar. Synthesis of two phosphoramidites (8) under bar and (9) under bar and the first melting temperature measurements are described.

  DOI：

  10.1080/07328319908044806