2-[(4-叠氮苯基)甲基]异吲哚-1,3-二酮 | 62133-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 2-[(4-叠氮苯基)甲基]异吲哚-1,3-二酮
• 英文名称: 2-[(4-Azidophenyl)methyl]-1H-isoindole-1,3(2H)-dione
• 英文别名: 2-[(4-azidophenyl)methyl]isoindole-1,3-dione
• CAS: 62133-08-8
• 化学式: C₁₅H₁₀N₄O₂
• 分子量: 278.27
• InChiKey: BNXRYUXAEVYXNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  51.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(4-叠氮苯基)甲基]异吲哚-1,3-二酮 在 肼 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以78%的产率得到(4-叠氮苯基)甲胺
  参考文献：
  名称：

  Probing the Active Site of a Diels−Alderase Ribozyme by Photoaffinity Cross-Linking

  摘要：

  The active site of a Diels-Alderase ribozyme is located in solution by photoaffinity cross-linking using a productlike azidobenzyl probe. Two key nucleotides are identified that contact the Diels-Alder product in a conformation-dependent fashion. The design of such probes does not require knowledge of the three-dimensional structure of the ribozyme, and the technique yields both static and dynamic structural information. This work establishes photoaffinity cross-linking as an empirical approach that is applied here for the first time to an artificial ribozyme.

  DOI：

  10.1021/ja802931q
• 作为产物：
  描述：

  1-叠氮基-4-(溴甲基)苯 、 potassium phtalimide 以 N,N-二甲基甲酰胺 为溶剂， 以90%的产率得到2-[(4-叠氮苯基)甲基]异吲哚-1,3-二酮
  参考文献：
  名称：

  Probing the Active Site of a Diels−Alderase Ribozyme by Photoaffinity Cross-Linking

  摘要：

  The active site of a Diels-Alderase ribozyme is located in solution by photoaffinity cross-linking using a productlike azidobenzyl probe. Two key nucleotides are identified that contact the Diels-Alder product in a conformation-dependent fashion. The design of such probes does not require knowledge of the three-dimensional structure of the ribozyme, and the technique yields both static and dynamic structural information. This work establishes photoaffinity cross-linking as an empirical approach that is applied here for the first time to an artificial ribozyme.

  DOI：

  10.1021/ja802931q

文献信息

• Probing the Active Site of a Diels−Alderase Ribozyme by Photoaffinity Cross-Linking
  作者：Richard Wombacher、Andres Jäschke

  DOI：10.1021/ja802931q

  日期：2008.7.1

  The active site of a Diels-Alderase ribozyme is located in solution by photoaffinity cross-linking using a productlike azidobenzyl probe. Two key nucleotides are identified that contact the Diels-Alder product in a conformation-dependent fashion. The design of such probes does not require knowledge of the three-dimensional structure of the ribozyme, and the technique yields both static and dynamic structural information. This work establishes photoaffinity cross-linking as an empirical approach that is applied here for the first time to an artificial ribozyme.