(3-fluoro-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine maleate

• 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: (3-fluoro-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine maleate
• 英文别名: (Z)-but-2-enedioic acid;N-[(3-fluorophenyl)methyl]-2-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)ethanamine
• 化学式: C₄H₄O₄*C₂₀H₁₇FN₂O₂S
• 分子量: 484.505
• InChiKey: LDJFPRUPMKOTOX-BTJKTKAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.58
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  150
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (3-fluoro-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine 、 顺丁烯二酸 以 异丙醇 为溶剂， 反应 2.0h， 以67%的产率得到(3-fluoro-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine maleate
  参考文献：
  名称：

  THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS

  摘要：

  公开号：

  EP1216249B1

文献信息

• US7091199B1
  申请人：——

  公开号：US7091199B1

  公开（公告）日：2006-08-15
• [EN] THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS<br/>[FR] DERIVES DE PROPYLE ET D'ETHYLE NON SUBSTITUES DE PHENOXY THIENOISOXAZOLE UTILES COMME ANTAGONISTES D4
  申请人：AVENTIS PHARMA INC

  公开号：WO2001019832A2

  公开（公告）日：2001-03-22

  The compounds are of the class of thienoisoxazole phenoxy unsubstituted ethyl and propyl derivatives, useful as D4 antagonists. Said compounds are useful for the treatment of medical conditions mediated by inhibition of D4 receptor. These conditions comprise, for example, Attention Deficit Hyperactivity Disorder, Obsessive-Compulsive Disorder, Psychoses, Substance Abuse, Substance Dependence, Parkinson's Disease, Parkinsonism, Tardive Diskinesia, Gilles de la Tourette Syndrome, Conduct Disorder, and Oppositional Defiant Disorder. A further aspect of the invention is to provide a pharmaceutical composition, intermediates, and a method of making said class of compounds.
• THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1216249B1

  公开（公告）日：2003-11-19