N-(2-oxo-2H-chromen-6-yl)butyramide | 838-46-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: N-(2-oxo-2H-chromen-6-yl)butyramide
• 英文别名: 6-Butyrylamino-cumarin；6-butyrylamino-chromen-2-one；N-(2-oxo-2H-chromen-6-yl)butanamide；N-(2-oxochromen-6-yl)butanamide
• CAS: 838-46-0
• 化学式: C₁₃H₁₃NO₃
• 分子量: 231.251
• InChiKey: POUHCENEBHMLCO-UHFFFAOYSA-N

物化性质

• 熔点：
  152-155 °C
• 沸点：
  477.5±40.0 °C(Predicted)
• 密度：
  1.262±0.06 g/cm3(Predicted)
• 溶解度：
  >34.7 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Photoreactive ligands and uses thereof
  申请人：The Scripps Research Institute

  公开号：US11535597B2

  公开（公告）日：2022-12-27

  Disclosed herein are methods for identifying proteins as targets for interaction with a small molecule ligand. Also disclosed herein are small molecule ligands and compositions for use in profiling druggable proteins.

  本文公开了用于确定蛋白质作为与小分子配体相互作用的靶标的方法。本文还公开了用于分析可药用蛋白质的小分子配体和组合物。
• PHOTOREACTIVE LIGANDS AND USES THEREOF
  申请人：The Scripps Research Institute

  公开号：US20200071277A1

  公开（公告）日：2020-03-05

  Disclosed herein are methods for identifying proteins as targets for interaction with a small molecule ligand. Also disclosed herein are small molecule ligands and compositions for use in profiling druggable proteins.
• [EN] PHOTOREACTIVE LIGANDS AND USES THEREOF<br/>[FR] LIGANDS PHOTORÉACTIFS ET UTILISATIONS
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2018136555A2

  公开（公告）日：2018-07-26

  Disclosed herein are methods for identifying proteins as targets for interaction with a small molecule ligand. Also disclosed herein are small molecule ligands and compositions for use in profiling druggable proteins.