1-cyclopentyl-4-(4-fluoro-3-hydroxyphenyl)-N-methylimidazol-1-ium-1-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-cyclopentyl-4-(4-fluoro-3-hydroxyphenyl)-N-methylimidazol-1-ium-1-carboxamide
• 化学式: C16H19FN3O2+
• 分子量: 304.34
• InChiKey: AFYIWPNKZNQYQB-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS
  申请人：BIAL-PORTELA & CA, S.A.

  公开号：US20150174103A1

  公开（公告）日：2015-06-25

  A compound having the following structure: or a pharmaceutically acceptable salt or derivative thereof. The compound may be used in the treatment or prevention of a disorder selected from appetite regulation, obesity, metabolic disorders, cachexia, anorexia, pain, inflammation, neurotoxicity, neurotrauma, stroke, multiple sclerosis, spinal cord injury, Parkinson's disease, levodopa-induced dyskinesia, Huntington's disease, Gilles de la Tourette's syndrome, tardive dyskinesia, dystonia, amyotrophic lateral sclerosis, Alzheimer's disease, epilepsy, schizophrenia, anxiety, depression, insomnia, nausea, emesis, alcohol disorders, drug addictions such as opiates, nicotine, cocaine, alcohol and psychostimulants, hypertension, circulatory shock, myocardial reperfusion injury, atherosclerosis, asthma, glaucoma, retinopathy, cancer, inflammatory bowel disease, acute and chronic liver disease such as hepatitis and liver cirrhosis, arthritis and osteoporosis.

  一种具有以下结构的化合物：或其药学上可接受的盐或衍生物。该化合物可用于治疗或预防以下疾病：食欲调节、肥胖症、代谢紊乱、消瘦、厌食症、疼痛、炎症、神经毒性、神经创伤、中风、多发性硬化、脊髓损伤、帕金森病、左旋多巴诱发的运动障碍、亨廷顿病、吉尔·德·拉·图雷特综合征、迟发性运动障碍、肌张力障碍、肌萎缩性侧索硬化症、阿尔茨海默病、癫痫、精神分裂症、焦虑症、抑郁症、失眠、恶心、呕吐、酒精障碍、药物成瘾（如鸦片、尼古丁、可卡因、酒精和精神兴奋剂）、高血压、循环性休克、心肌再灌注损伤、动脉粥样硬化、哮喘、青光眼、视网膜病变、癌症、炎症性肠病、急性和慢性肝病（如肝炎和肝硬化）、关节炎和骨质疏松症。
• Urea compounds and their use as enzyme inhibitors
  申请人：BIAL-PORTELA & CA, S.A.

  公开号：US10023541B2

  公开（公告）日：2018-07-17

  A compound having the following structure: or a pharmaceutically acceptable salt or derivative thereof. The compound may be used in the treatment or prevention of a disorder selected from appetite regulation, obesity, metabolic disorders, cachexia, anorexia, pain, inflammation, neurotoxicity, neurotrauma, stroke, multiple sclerosis, spinal cord injury, Parkinson's disease, levodopa-induced dyskinesia, Huntington's disease, Gilles de la Tourette's syndrome, tardive dyskinesia, dystonia, amyotrophic lateral sclerosis, Alzheimer's disease, epilepsy, schizophrenia, anxiety, depression, insomnia, nausea, emesis, alcohol disorders, drug addictions such as opiates, nicotine, cocaine, alcohol and psychostimulants, hypertension, circulatory shock, myocardial reperfusion injury, atherosclerosis, asthma, glaucoma, retinopathy, cancer, inflammatory bowel disease, acute and chronic liver disease such as hepatitis and liver cirrhosis, arthritis and osteoporosis.

  具有以下结构的化合物 或其药学上可接受的盐或衍生物。多发性硬化症、脊髓损伤、帕金森病、左旋多巴诱发的运动障碍、亨廷顿氏病、吉尔-德-图雷特综合征、迟发性运动障碍、肌张力障碍、肌萎缩性脊髓侧索硬化症、阿尔茨海默氏症、癫痫、精神分裂症、颅内压增高、颅内压增高和颅内压增高、癫痫、精神分裂症、焦虑、抑郁、失眠、恶心、呕吐、酒精紊乱、药物成瘾（如鸦片制剂、尼古丁、可卡因、酒精和精神兴奋剂）、高血压、循环休克、心肌再灌注损伤、动脉粥样硬化、哮喘、青光眼、视网膜病变、癌症、炎症性肠病、急慢性肝病（如肝炎和肝硬化）、关节炎和骨质疏松症。
• US9549915B2
  申请人：——

  公开号：US9549915B2

  公开（公告）日：2017-01-24
• [EN] UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS<br/>[FR] COMPOSÉS D'URÉE ET LEUR UTILISATION EN TANT QU'INHIBITEURS D'ENZYME
  申请人：BIAL PORTELA & CA SA

  公开号：WO2014017936A2

  公开（公告）日：2014-01-30

  A compound having the following structure: or a pharmaceutically acceptable salt or derivative thereof. The compound may be used in the treatment or prevention of a disorder selected from appetite regulation, obesity, metabolic disorders, cachexia, anorexia, pain, inflammation, neurotoxicity, neurotrauma, stroke, multiple sclerosis, spinal cord injury, Parkinson's disease, levodopa-induced dyskinesia, Huntington's disease, Gilles de la Tourette's syndrome, tardive dyskinesia, dystonia, amyotrophic lateral sclerosis, Alzheimer's disease, epilepsy, schizophrenia, anxiety, depression, insomnia, nausea, emesis, alcohol disorders, drug addictions such as opiates, nicotine, cocaine, alcohol and psychostimulants, hypertension, circulatory shock, myocardial reperfusion injury, atherosclerosis, asthma, glaucoma, retinopathy, cancer, inflammatory bowel disease, acute and chronic liver disease such as hepatitis and liver cirrhosis, arthritis and osteoporosis.