1-(3',5'-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-[3-(2-deoxy-β-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]-purin-7-yl])-1-hexyl-2-methylpropanoate | 586963-13-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 1-(3',5'-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-[3-(2-deoxy-β-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]-purin-7-yl])-1-hexyl-2-methylpropanoate
• CAS: 586963-13-5
• 化学式: C₃₄H₅₇N₅O₆Si₂
• 分子量: 688.027
• InChiKey: IXEJLVOBPGLBDC-NIXPGEGASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.14
• 重原子数：
  47.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  111.23
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  1-(3',5'-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-[3-(2-deoxy-β-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]-purin-7-yl])-1-hexyl-2-methylpropanoate 在 吡啶 、 N,N-二异丙基乙胺 、 cesium fluoride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 1-[3-(2-deoxy-3-O-[2-cyanoethoxy(diisopropylamino)-phosphino]-5-(4,4'-dimethoxytrityl)-β-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purin-7-yl]-1-hexyl-2-methylpropanoate
  参考文献：
  名称：

  Site-specific incorporation of the 1-hexanol-1,N6-etheno-2′-deoxyadenosine adduct into oligodeoxyribonucleotides

  摘要：

  Modified oligonucleotides that contain the hydrophobic 1-hexanol-1,N-6-etheno-2'-deoxyadenosine adduct have been synthesized using a mild solid phase phosphoramidite chemistry. The presence and the integrity of the modified nucleoside in the synthetic oligomers were confirmed by electrospray ionization and MALDI mass spectrometry measurements together with analysis of the complete enzymatic hydrolysate by high performance liquid chromatography coupled to UV and fluorescent detection techniques. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00125-1
• 作为产物：
  描述：

  1-[3-(2-deoxy-β-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purin-7-yl]-1-hexanol 在 吡啶 、 4-二甲氨基吡啶 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 1-(3',5'-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-[3-(2-deoxy-β-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]-purin-7-yl])-1-hexyl-2-methylpropanoate
  参考文献：
  名称：

  Site-specific incorporation of the 1-hexanol-1,N6-etheno-2′-deoxyadenosine adduct into oligodeoxyribonucleotides

  摘要：

  Modified oligonucleotides that contain the hydrophobic 1-hexanol-1,N-6-etheno-2'-deoxyadenosine adduct have been synthesized using a mild solid phase phosphoramidite chemistry. The presence and the integrity of the modified nucleoside in the synthetic oligomers were confirmed by electrospray ionization and MALDI mass spectrometry measurements together with analysis of the complete enzymatic hydrolysate by high performance liquid chromatography coupled to UV and fluorescent detection techniques. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00125-1