2'-deoxy-uridylyl-(3'->5')-thymidine | 10300-41-1

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - （3'->5'）-二核苷酸和类似物
• 英文名称: 2'-deoxy-uridylyl-(3'->5')-thymidine
• CAS: 10300-41-1
• 化学式: C₁₉H₂₅N₄O₁₂P
• 分子量: 532.401
• InChiKey: YTPOEEAHQQQITM-SWTKMSQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.17
• 重原子数：
  36.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  224.4
• 氢给体数：
  5.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  2'-deoxy-uridylyl-(3'->5')-thymidine 以 丙酮 为溶剂， 生成 (1R,6S,7S,8R,9R,14R,16R,17S,22R,23S)-19,23-dihydroxy-16-(hydroxymethyl)-6-methyl-19-oxo-15,18,20,25-tetraoxa-2,4,11,13-tetraza-19lambda5-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosane-3,5,10,12-tetrone
  参考文献：
  名称：

  Substrate and Temperature Dependence of DNA Photolyase Repair Activity Examined with Ultrafast Spectroscopy

  摘要：

  The kinetics and energetics of the electron transfer reactions occurring in the enzyme substrate complex of DNA photolyase have been studied by transient absorption spectroscopy with picosecond time resolution in the temperature range 275-90 K. The results can be summarized as follows: (i) The lifetime of (1)(FADH(-))* depends not only on the presence of the substrate but also on its nature, e.g. the electron transfer from (1)(FADH(-))* to thymine dimers T >$($) over bar T and to thymine-uracil dimers T >$($) over bar U is slower by a factor of 2 to 3 compared to that of U >$($) over bar U and U >$($) over bar T. This feature is attributed to the enlarged electronic coupling between (1)(FADH(-))* and the respective dimers in the absence of the methyl group in the C5 position of the 5'-uracil. (ii) The temperature dependence of the quantum yield was studied, and from this the activation energy for the overall repair process has been estimated to be E-A=0.45 +/- 0.1 eV.

  DOI：

  10.1021/ja9721024