[2-deoxy-5-O-(4,4'-dimethoxytrityl)-α-D-erythro-pentofuranosyl]-N-{2-[4,7,10-tris(2,2,2-trifluoroacetyl)-1,4,7,10-tetraazacyclododecan-1-yl]ethyl}acetamide | 1337923-69-9

• 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: [2-deoxy-5-O-(4,4'-dimethoxytrityl)-α-D-erythro-pentofuranosyl]-N-{2-[4,7,10-tris(2,2,2-trifluoroacetyl)-1,4,7,10-tetraazacyclododecan-1-yl]ethyl}acetamide
• CAS: 1337923-69-9
• 化学式: C₄₄H₅₀F₉N₅O₉
• 分子量: 963.895
• InChiKey: BPNYRALRPCTSQR-QGBCWPEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.53
• 重原子数：
  67.0
• 可旋转键数：
  13.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  150.42
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  [2-deoxy-5-O-(4,4'-dimethoxytrityl)-α-D-erythro-pentofuranosyl]-N-{2-[4,7,10-tris(2,2,2-trifluoroacetyl)-1,4,7,10-tetraazacyclododecan-1-yl]ethyl}acetamide 、 2-氰乙基N,N-二异丙基氯亚磷酰胺 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以75%的产率得到{2-deoxy-3-O-[2-cyanoethoxy(diisopropylamino)phosphino]-5-O-(4,4'-dimethoxytrityl)-α-D-erythro-pentofuranosyl}-N-{2-[4,7,10-tris(2,2,2-trifluoroacetyl)-1,4,7,10-tetraazacyclododecan-1-yl]ethyl}acetamide
  参考文献：
  名称：

  The Zn²⁺Complex of 1,4,7,10-Tetraazacyclododecane as an Artificial Nucleobase

  摘要：

  {2-Deoxy-3-O-[2-cyanoethoxy(diisopropylamino)phosphino]-5-O-(4,4'-dimethoxytrityl)-alpha-Derythro-pentofuranosyl -N-{2-[4, 7, 10-tris(2,2,2-trifluoroacetyl)-1,4, 7, 10-tetraazacyclododecan-1-yl] ethyl acetamide (I) was prepared and incorporated into a 2'-O-methyl oligoribonucleotide. The hybridization, of this oligonucleotide with complementary 2'-O-methyl oligoribonucleotides incorporating one to five uracil bases opposite to the azacrown structure was studied in the absence and presence of Zn2+ Introduction of Zn2+ moderately stabilized the duplex with U-bulged targets.

  DOI：

  10.1080/15257770.2011.583809
• 作为产物：
  描述：

  ethyl [2-deoxy-5-O-(4,4'-dimethoxytrityl)-α-D-erythro-pentofuranosyl]acetate 在 水 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 、 N,N-二异丙基乙胺 、 potassium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 77.0h， 生成 [2-deoxy-5-O-(4,4'-dimethoxytrityl)-α-D-erythro-pentofuranosyl]-N-{2-[4,7,10-tris(2,2,2-trifluoroacetyl)-1,4,7,10-tetraazacyclododecan-1-yl]ethyl}acetamide
  参考文献：
  名称：

  The Zn²⁺Complex of 1,4,7,10-Tetraazacyclododecane as an Artificial Nucleobase

  摘要：

  {2-Deoxy-3-O-[2-cyanoethoxy(diisopropylamino)phosphino]-5-O-(4,4'-dimethoxytrityl)-alpha-Derythro-pentofuranosyl -N-{2-[4, 7, 10-tris(2,2,2-trifluoroacetyl)-1,4, 7, 10-tetraazacyclododecan-1-yl] ethyl acetamide (I) was prepared and incorporated into a 2'-O-methyl oligoribonucleotide. The hybridization, of this oligonucleotide with complementary 2'-O-methyl oligoribonucleotides incorporating one to five uracil bases opposite to the azacrown structure was studied in the absence and presence of Zn2+ Introduction of Zn2+ moderately stabilized the duplex with U-bulged targets.

  DOI：

  10.1080/15257770.2011.583809