4-{4-[(Bromoacetyl)amino]butyl}benzoic acid | 10161-87-2

• 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: 4-{4-[(Bromoacetyl)amino]butyl}benzoic acid
• 英文别名: 4-[4-[(2-bromoacetyl)amino]butyl]benzoic acid
• CAS: 10161-87-2
• 化学式: C₁₃H₁₆BrNO₃
• 分子量: 314.17
• InChiKey: WZQJLTLURXNPQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• KRAS Agonists, Pharmaceutical Compositions, and Uses in Managing Cancer
  申请人：Emory University

  公开号：US20210093597A1

  公开（公告）日：2021-04-01

  In certain embodiments, this disclosure relates to KRAS agonists, pharmaceutical composition, and uses in managing cancer. In certain embodiments, the KRAS agonist is 4-(4-(2-bromoacetamido)butyl)benzoic acid, salt, prodrug, or derivative thereof. In certain embodiments, this disclosure relates to methods of treating cancer comprising administering an effective amount of a compound of Formula I, salt, prodrug, or derivative thereof, to a subject in need thereof, wherein, substituents are reported herein.