N-(3-bromo-4-fluorobenzyl)-1-methyl-N-(propan-2-yl)-1H-imidazole-4-carboxamide | 1262237-77-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(3-bromo-4-fluorobenzyl)-1-methyl-N-(propan-2-yl)-1H-imidazole-4-carboxamide
• 英文别名: N-[(3-bromo-4-fluorophenyl)methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
• CAS: 1262237-77-3
• 化学式: C₁₅H₁₇BrFN₃O
• 分子量: 354.222
• InChiKey: WWKQZGDUEUGSOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(3-bromo-4-fluorobenzyl)-1-methyl-N-(propan-2-yl)-1H-imidazole-4-carboxamide 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 potassium acetate 、 potassium carbonate 作用下， 以 乙醇 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.83h， 生成 N-[4-fluoro-3-(pyridin-2-yl)benzyl]-1-methyl-N-(propan-2-yl)-1H-imidazole-4-carboxamide
  参考文献：
  名称：

  GLYCINE TRANSPORTER INHIBITING SUBSTANCES

  摘要：

  本发明旨在提供基于甘氨酸摄取抑制作用的化合物的新颖化合物，其化学式为[I]或其药学上可接受的盐，可用于预防或治疗精神分裂症、阿尔茨海默病、认知功能障碍、痴呆、焦虑障碍（广泛性焦虑障碍、恐慌障碍、强迫症、社交焦虑障碍、创伤后应激障碍、特定恐惧症、急性应激障碍等）、抑郁症、药物成瘾、痉挛、震颤、疼痛和睡眠障碍等疾病的预防或治疗。

  公开号：

  US20130184460A1

文献信息

• [EN] GLYCINE TRANSPORTER INHIBITORS<br/>[FR] INHIBITEURS DES TRANSPORTEURS DE LA GLYCINE
  申请人：TAISHO PHARMA CO LTD

  公开号：WO2011007899A1

  公开（公告）日：2011-01-20

  The present invention aims to provide novel compounds represented by formula [I] or pharmaceutically acceptable salts thereof: [Formula 1] which are useful for prevention or treatment of diseases such as schizophrenia, Alzheimer's disease, cognitive impairment, dementia, anxiety disorders (e.g., generalized anxiety disorder, panic disorder, obsessive-compulsive disorder, social anxiety disorder, post-traumatic stress disorder, specific phobias, acute stress disorder), depression, drug dependence, convulsion, tremor, pain, or sleep disorders, based on their inhibitory effect against glycine uptake.

  本发明旨在提供由式[I]表示的新化合物或其药学上可接受的盐：[化学式1]，这些化合物对于预防或治疗精神分裂症、阿尔茨海默病、认知障碍、痴呆症、焦虑障碍（如广泛性焦虑障碍、恐慌障碍、强迫症、社交焦虑障碍、创伤后应激障碍、特定恐惧症、急性应激障碍）、抑郁症、药物依赖、惊厥、震颤、疼痛或睡眠障碍等疾病具有用处，基于它们对甘氨酸摄取的抑制作用。
• GLYCINE TRANSPORTER INHIBITORS
  申请人：Yasuhara Akito

  公开号：US20120116095A1

  公开（公告）日：2012-05-10

  The present invention aims to provide novel compounds represented by formula [I] or pharmaceutically acceptable salts thereof: which are useful for prevention or treatment of diseases such as schizophrenia, Alzheimer's disease, cognitive impairment, dementia, anxiety disorders (e.g., generalized anxiety disorder, panic disorder, obsessive-compulsive disorder, social anxiety disorder, post-traumatic stress disorder, specific phobias, acute stress disorder), depression, drug dependence, convulsion, tremor, pain, or sleep disorders, based on their inhibitory effect against glycine uptake.

  本发明旨在提供由式[I]表示的新化合物或其药学上可接受的盐：这些化合物对于预防或治疗类似精神分裂症、阿尔茨海默病、认知障碍、痴呆、焦虑症（例如广泛性焦虑障碍、惊恐障碍、强迫症、社交焦虑障碍、创伤后应激障碍、特定恐惧症、急性应激障碍）、抑郁症、药物依赖、惊厥、震颤、疼痛或睡眠障碍具有抑制甘氨酸摄取的作用。
• GLYCINE TRANSPORTER INHIBITOR
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP2617715A1

  公开（公告）日：2013-07-24

  The present invention aims to provide novel compounds of formula [I] or pharmaceutically acceptable salts thereof that are based on a glycine uptake inhibiting action and which are useful in the prevention or treatment of such diseases as schizophrenia, Alzheimer's disease, cognitive dysfunction, dementia, anxiety disorders (generalized anxiety disorder, panic disorder, obsessive-compulsive disorder, social anxiety disorder, posttraumatic stress disorder, specific phobia, acute stress disorder, etc.), depression, drug addiction, spasm, tremor, pain, and sleep disorder:

  本发明旨在提供基于甘氨酸摄取抑制作用的新型式[I]化合物或其药学上可接受的盐，这些化合物可用于预防或治疗精神分裂症、阿尔茨海默病、认知功能障碍、痴呆症、焦虑症（广泛性焦虑症、恐慌症、强迫症、社交焦虑症、创伤后应激障碍、特殊恐惧症、急性应激障碍等）等疾病。抑郁症、药物成瘾、痉挛、震颤、疼痛和睡眠障碍）：
• US8729271B2
  申请人：——

  公开号：US8729271B2

  公开（公告）日：2014-05-20
• GLYCINE TRANSPORTER INHIBITING SUBSTANCES
  申请人：Moriya Minoru

  公开号：US20130184460A1

  公开（公告）日：2013-07-18

  The present invention aims to provide novel compounds of formula [I] or pharmaceutically acceptable salts thereof that are based on a glycine uptake inhibiting action and which are useful in the prevention or treatment of such diseases as schizophrenia, Alzheimer's disease, cognitive dysfunction, dementia, anxiety disorders (generalized anxiety disorder, panic disorder, obsessive-compulsive disorder, social anxiety disorder, posttraumatic stress disorder, specific phobia, acute stress disorder, etc.), depression, drug addiction, spasm, tremor, pain, and sleep disorder:

  本发明旨在提供基于甘氨酸摄取抑制作用的化合物的新颖化合物，其化学式为[I]或其药学上可接受的盐，可用于预防或治疗精神分裂症、阿尔茨海默病、认知功能障碍、痴呆、焦虑障碍（广泛性焦虑障碍、恐慌障碍、强迫症、社交焦虑障碍、创伤后应激障碍、特定恐惧症、急性应激障碍等）、抑郁症、药物成瘾、痉挛、震颤、疼痛和睡眠障碍等疾病的预防或治疗。