5'-KP-8-oxodA | 1069110-42-4

• 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: 5'-KP-8-oxodA
• 英文别名: [(2R,3S,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl (2S)-2-(3-benzoylphenyl)propanoate
• CAS: 1069110-42-4
• 化学式: C₂₆H₂₅N₅O₆
• 分子量: 503.514
• InChiKey: CWJCVUGIDILYJE-VVHHDAOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  157
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  5'-KP-8-oxodA 在 氧气 作用下， 以 水 、 乙腈 为溶剂， 反应 30.0h， 以30%的产率得到5'-KP-dL
  参考文献：
  名称：

  Photogeneration of 2-Deoxyribonolactone in Benzophenone−Purine Dyads. Formation of Ketyl−C1′ Biradicals

  摘要：

  Photolysis of the title dyads under aerobic conditions leads to a 2-deoxyribonolactone derivative. Laser flash photolysis reveals that the process occurs from the short-lived benzophenone-like triplet excited state. A mechanism involving intramolecular electron transfer with the purine bases (adenine, guanine, or 8-oxoadenine) as donors is proposed.

  DOI：

  10.1021/ol801514v
• 作为产物：
  描述：

  7,8-dihydro-8-oxo-2'-deoxyadenosine 、 右旋酮洛芬 在 吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以76%的产率得到5'-KP-8-oxodA
  参考文献：
  名称：

  Photogeneration of 2-Deoxyribonolactone in Benzophenone−Purine Dyads. Formation of Ketyl−C1′ Biradicals

  摘要：

  Photolysis of the title dyads under aerobic conditions leads to a 2-deoxyribonolactone derivative. Laser flash photolysis reveals that the process occurs from the short-lived benzophenone-like triplet excited state. A mechanism involving intramolecular electron transfer with the purine bases (adenine, guanine, or 8-oxoadenine) as donors is proposed.

  DOI：

  10.1021/ol801514v

文献信息

• Photogeneration of 2-Deoxyribonolactone in Benzophenone−Purine Dyads. Formation of Ketyl−C1′ Biradicals
  作者：Cecilia Paris、Susana Encinas、Nourreddine Belmadoui、María J. Climent、Miguel Angel Miranda

  DOI：10.1021/ol801514v

  日期：2008.10.16

  Photolysis of the title dyads under aerobic conditions leads to a 2-deoxyribonolactone derivative. Laser flash photolysis reveals that the process occurs from the short-lived benzophenone-like triplet excited state. A mechanism involving intramolecular electron transfer with the purine bases (adenine, guanine, or 8-oxoadenine) as donors is proposed.