AVE-5997 | 452917-21-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: AVE-5997
• 英文别名: 1-p-tolyl-3-[4-[4-(6-trifluoromethylbenzo[b]thieny-3-yl)piperazin-1-yl]butyl]-urea；1-p-Tolyl-3-(4-(4-(6-trifluoromethylbenzo(b)thien-3-yl)piperazin-1-yl)butyl)urea；1-(4-methylphenyl)-3-[4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butyl]urea
• CAS: 452917-21-4
• 化学式: C₂₅H₂₉F₃N₄OS
• 分子量: 490.593
• InChiKey: XVFIYMFVLGFALY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  75.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  AVE-5997 在 甲烷磺酸 作用下， 以 丙醇 为溶剂， 以96.5%的产率得到1-p-tolyl-3-[4-[4-(6trifluoromethylbenzo[b]thieny-3-yl)piperazin-1-yl]butyl]-urea methanesultonate
  参考文献：
  名称：

  Novel heterocyclic urea derivatives and their use as dopamine D3 receptor ligands

  摘要：

  该发明涉及对多巴胺D3受体显示选择性结合的杂环取代脲衍生物。另一方面，该发明涉及一种用于治疗中枢神经系统疾病的方法，该疾病与多巴胺D3受体活性有关，患者需要接受此类治疗，包括向受试者施用所述化合物的治疗有效量以缓解此类疾病。可以用这些化合物治疗的中枢神经系统疾病包括精神病性障碍、物质依赖、物质滥用、运动障碍（如帕金森病、帕金森综合症、神经阻滞引起的迟发性运动障碍、吉尔·德·拉·图雷特综合征和亨廷顿病）、痴呆、焦虑障碍、睡眠障碍、昼夜节律障碍和情绪障碍。该发明还涉及所述化合物的制备过程以及将其作为多巴胺D3受体成像剂的方法。

  公开号：

  US20030229066A1
• 作为产物：
  描述：

  4-[6-(trifluoromethyl)-benzo[b]thien-3yl]-1-piperazinebutanamine 、 对甲苯异氰酸酯 在 对甲苯异氰酸酯 作用下， 以37的产率得到AVE-5997
  参考文献：
  名称：

  2003229066A1

  摘要：

  DOI：

文献信息

• 2003229066A1
  作者：

  DOI：——

  日期：——
• HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS
  申请人：AVENTIS PHARMACEUTICALS INC.

  公开号：EP1392676B1

  公开（公告）日：2006-12-13
• [EN] NOVEL HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS<br/>[FR] NOUVEAUX DERIVES D'UREE HETEROCYCLIQUES ET LEUR UTILISATION EN TANT QUE LIGANDS DES RECEPTEURS DE LA DOPAMINE D3
  申请人：AVENTIS PHARMA INC

  公开号：WO2002066468A2

  公开（公告）日：2002-08-29

  The invention relates to heterocyclic substituted urea derivatives of the formula (I) that display selective binding to dopamine D3 receptors. In another aspect, the invention relates to a method for treating central nervous system disorders associated with the dopamine D3 receptor activity in a patient in need of such treatment comprising administering to the subject a therapeutically effective amount of said compounds for alleviation of such disorder. The central nervous system disorders that may be treated with these compounds include Psychotic Disorders, Substance Dependence, Substance Abuse, Dyskinetic Disorders (e.g. Parkinson's Disease, Parkinsonism, Neuroleptic-Induced Tardive Dyskinesia, Gilles de la Tourette Syndrome and Huntington's Disease), Dementia, Anxiety Disorders, Sleep Disorders, Circadian Rhythm Disorders and Mood Disorders. The subject invention is also directed towards processes for the preparation of the compounds described herein as well as methods for making and using the compounds as imaging agents for dopamine D3 receptors.
• Novel heterocyclic urea derivatives and their use as dopamine D3 receptor ligands
  申请人：——

  公开号：US20030229066A1

  公开（公告）日：2003-12-11

  The invention relates to heterocyclic substituted urea derivatives that display selective binding to dopamine D 3 receptors. In another aspect, the invention relates to a method for treating central nervous system disorders associated with the dopamine D 3 receptor activity in a patient in need of such treatment comprising administering to the subject a therapeutically effective amount of said compounds for alleviation of such disorder. The central nervous system disorders that may be treated with these compounds include Psychotic Disorders, Substance Dependence, Substance Abuse, Dyskinetic Disorders (e.g. Parkinson's Disease, Parkinsonism, Neuroleptic-Induced Tardive Dyskinesia, Gilles de la Tourette Syndrome and Huntington's Disease), Dementia, Anxiety Disorders, Sleep Disorders, Circadian Rhythm Disorders and Mood Disorders. The subject invention is also directed towards processes for the preparation of the compounds described herein as well as methods for making and using the compounds as imaging agents for dopamine D 3 receptors.

  该发明涉及对多巴胺D3受体显示选择性结合的杂环取代脲衍生物。另一方面，该发明涉及一种用于治疗中枢神经系统疾病的方法，该疾病与多巴胺D3受体活性有关，患者需要接受此类治疗，包括向受试者施用所述化合物的治疗有效量以缓解此类疾病。可以用这些化合物治疗的中枢神经系统疾病包括精神病性障碍、物质依赖、物质滥用、运动障碍（如帕金森病、帕金森综合症、神经阻滞引起的迟发性运动障碍、吉尔·德·拉·图雷特综合征和亨廷顿病）、痴呆、焦虑障碍、睡眠障碍、昼夜节律障碍和情绪障碍。该发明还涉及所述化合物的制备过程以及将其作为多巴胺D3受体成像剂的方法。