2,6-Bis(3-carboxyacrylamido)benzoic acid

• 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: 2,6-Bis(3-carboxyacrylamido)benzoic acid
• 英文别名: 2,6-bis[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid
• 化学式: C₁₅H₁₂N₂O₈
• 分子量: 348.26
• InChiKey: AEFXZQBYWHGBOY-YDFGWWAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  170
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• GPCR Ligands Identified by Computational Modeling
  申请人：Parrill-Baker Abby L.

  公开号：US20090029949A1

  公开（公告）日：2009-01-29

  Disclosed are pharmacophores for developing and screening compounds having G-protein-coupled receptor antagonist activity, including LPA 1 , LPA 2 , LPA 3 and S1P antagonists. These compositions have therapeutic benefit in the fields of cancer chemotherapy, cardiovascular disease prevention, and fertility protective agents during radiation and chemotherapy.