1-[2'-deoxy-β-D-erythro-pentafuranosyl]-7-nitro-4-(2,4,6-trimethylphenoxy)-1H-imidazo[4,5-c]pyridine | 750632-63-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物
• 英文名称: 1-[2'-deoxy-β-D-erythro-pentafuranosyl]-7-nitro-4-(2,4,6-trimethylphenoxy)-1H-imidazo[4,5-c]pyridine
• CAS: 750632-63-4
• 化学式: C₂₀H₂₂N₄O₆
• 分子量: 414.418
• InChiKey: PKIBNYFHQGUSQQ-QMRHZFGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  132.77
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  1-[2'-deoxy-β-D-erythro-pentafuranosyl]-7-nitro-4-(2,4,6-trimethylphenoxy)-1H-imidazo[4,5-c]pyridine 在 吡啶 、 二异丙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 3'-O-(2-cyanoethyl-N,N-diisopropylphosphoramido)-5'-O-(4,4'-dimethoxytrityl)-4-O-(2,4,6-trimethylphenyl)-1-[2'-deoxy-β-D-erythro-pentofuranosyl]-7-nitro-1H-imidazo[4,5-c]pyridine
  参考文献：
  名称：

  3-Nitro-3-deaza-2‘-deoxyadenosine as a Versatile Photocleavable 2‘-Deoxyadenosine Mimic

  摘要：

  A new photocleavable 2'-deoxyadenosine mimic, 3-nitro-3-deaza-2'-deoxyadenosine (NidA), was prepared and introduced into DNA fragments via its 6-O-trimethylphenyl precursor phophoramidite. Photocleavage of the resulting oligonucleotide is highly efficient in single and double strands. Hybridization properties of NidA are very similar to those of deoxyadenosine.

  DOI：

  10.1021/ja047976m
• 作为产物：
  描述：

  1-[2'-deoxy-3',5'-di-O-(4-toluoyl)-β-D-erythro-pentafuranosyl]-7-nitro-4-(2,4,6-trimethylphenoxy)-1H-imidazo[4,5-c]pyridine 在 氢氧化钾 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.33h， 以88%的产率得到1-[2'-deoxy-β-D-erythro-pentafuranosyl]-7-nitro-4-(2,4,6-trimethylphenoxy)-1H-imidazo[4,5-c]pyridine
  参考文献：
  名称：

  3-Nitro-3-deaza-2‘-deoxyadenosine as a Versatile Photocleavable 2‘-Deoxyadenosine Mimic

  摘要：

  A new photocleavable 2'-deoxyadenosine mimic, 3-nitro-3-deaza-2'-deoxyadenosine (NidA), was prepared and introduced into DNA fragments via its 6-O-trimethylphenyl precursor phophoramidite. Photocleavage of the resulting oligonucleotide is highly efficient in single and double strands. Hybridization properties of NidA are very similar to those of deoxyadenosine.

  DOI：

  10.1021/ja047976m