3-(acetylamino)-N-(3-formylphenyl)benzamide | 1036386-74-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(acetylamino)-N-(3-formylphenyl)benzamide
• 英文别名: 3-acetamido-N-(3-formylphenyl)benzamide
• CAS: 1036386-74-9
• 化学式: C₁₆H₁₄N₂O₃
• 分子量: 282.299
• InChiKey: OOGPRANBIIAVQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  75.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-acetylamino-N-[3-(hydroxymethyl)phenyl]benzamide 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 、 水 为溶剂， 以52%的产率得到3-(acetylamino)-N-(3-formylphenyl)benzamide
  参考文献：
  名称：

  通过动态连接筛选对非肽类蛋白酶抑制剂的抑制片段进行敏感检测和迭代开发。

  摘要：

  A potential anti‐SARS drug has been developed by dynamic ligation screening (DLS), by which nucleophilic fragments are directed to the protein's active site by reversible reaction with an aldehyde inhibitor. Their inhibitory effect is detected by competition with a fluorogenic enzyme substrate. With this concept, low‐affinity fragments binding specifically to the active site are quickly identified in a functional enzyme assay.

  DOI：

  10.1002/anie.200704594

文献信息

• Sensitized Detection of Inhibitory Fragments and Iterative Development of Non-Peptidic Protease Inhibitors by Dynamic Ligation Screening
  作者：Marco Florian Schmidt、Albert Isidro-Llobet、Michael Lisurek、Adeeb El-Dahshan、Jinzhi Tan、Rolf Hilgenfeld、Jörg Rademann

  DOI：10.1002/anie.200704594

  日期：2008.4.14

  A potential anti‐SARS drug has been developed by dynamic ligation screening (DLS), by which nucleophilic fragments are directed to the protein's active site by reversible reaction with an aldehyde inhibitor. Their inhibitory effect is detected by competition with a fluorogenic enzyme substrate. With this concept, low‐affinity fragments binding specifically to the active site are quickly identified in a functional enzyme assay.