3-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoic acid | 30843-42-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoic acid
• 英文别名: 3-[7-chloro-5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-propionic acid
• CAS: 30843-42-6
• 化学式: C₁₈H₁₄ClFN₂O₃
• 分子量: 360.772
• InChiKey: IVACZQHHOUJLCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  70
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US10266534B2

  公开（公告）日：2019-04-23

  The present invention provides compounds and compositions which are positive allosteric modulators of GABA-A receptors that selectively target the peripheral nervous system and organs of the body, and which do not pass through the blood-brain barrier. The compounds and compositions of the present invention are useful for treatment of diseases or disorders which are mediated by GABA-A neuronal activity, such as, for example, visceral pain, gut motility, irritable bowel syndrome, functional abdominal pain, functional idiopathic diarrhea, inflammatory bowel diseases, drug induced pain, bile salt malabsorption, lactase or other carbohydrate intolerance.

  本发明提供的化合物和组合物是 GABA-A 受体的正性异位调节剂，可选择性地靶向外周神经系统和人体器官，且不通过血脑屏障。本发明的化合物和组合物可用于治疗由 GABA-A 神经元活性介导的疾病或失调，例如，内脏疼痛、肠道运动、肠易激综合征、功能性腹痛、功能性特发性腹泻、炎症性肠病、药物引起的疼痛、胆盐吸收不良、乳糖酶或其他碳水化合物不耐受。
• PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US20170197967A1

  公开（公告）日：2017-07-13

  The present invention provides compounds and compositions which are positive allosteric modulators of GABA-A receptors that selectively target the peripheral nervous system and organs of the body, and which do not pass through the blood-brain barrier. The compounds and compositions of the present invention are useful for treatment of diseases or disorders which are mediated by GABA-A neuronal activity, such as, for example, visceral pain, gut motility, irritable bowel syndrome, functional abdominal pain, functional idiopathic diarrhea, inflammatory bowel diseases, drug induced pain, bile salt malabsorption, lactase or other carbohydrate intolerance.
• [EN] PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS AU GABA RESTREINTS AU SYSTÈME NERVEUX PÉRIPHÉRIQUE POUR LE TRAITEMENT DU SYNDROME DU CÔLON IRRITABLE ET AUTRES AFFECTIONS DU SYSTÈME NERVEUX PÉRIPHÉRIQUE
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2015200766A2

  公开（公告）日：2015-12-30

  The present invention provides compounds and compositions which are positive allosteric modulators of GABA-A receptors that selectively target the peripheral nervous system and organs of the body, and which do not pass through the blood-brain barrier. The compounds and compositions of the present invention are useful for treatment of diseases or disorders which are mediated by GABA-A neuronal activity, such as, for example, visceral pain, gut motility, irritable bowel syndrome, functional abdominal pain, functional idiopathic diarrhea, inflammatory bowel diseases, drug induced pain, bile salt malabsorption, lactase or other carbohydrate intolerance.