3-{2-[1-(3,4-Dimethoxy-benzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-2-phenyl-acetylamino}-N-ethyl-N-methyl-propionamide | 439933-47-8

• 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: 3-{2-[1-(3,4-Dimethoxy-benzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-2-phenyl-acetylamino}-N-ethyl-N-methyl-propionamide
• 英文别名: 3-[[2-[1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-phenylacetyl]amino]-N-ethyl-N-methylpropanamide
• CAS: 439933-47-8
• 化学式: C₃₅H₄₅N₃O₆
• 分子量: 603.759
• InChiKey: YGGYUJUFENWYOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  44
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  89.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-ethyl-3-aminopropionic acid methyl amide 、 [1-(3,4-Dimethoxy-benzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-phenyl-acetic acid 生成 3-{2-[1-(3,4-Dimethoxy-benzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-2-phenyl-acetylamino}-N-ethyl-N-methyl-propionamide
  参考文献：
  名称：

  Benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists

  摘要：

  本发明涉及新型苯并氮杂环衍生物(I)及其相关杂环衍生物，以及它们作为制备药物组合物的活性成分的用途。本发明还涉及相关方面，包括制备化合物的过程、含有其中一种或多种化合物的药物组合物，特别是它们作为促进睡眠的受体拮抗剂的用途。

  公开号：

  US07192950B2

文献信息

• Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists
  申请人：——

  公开号：US20040058912A1

  公开（公告）日：2004-03-25

  The invention relates to novel benzazepines and related heterocyclic derivatives (I) and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists.

  该发明涉及新型苯并吡嗪和相关杂环衍生物（I），以及它们作为药物组成物中的活性成分的用途。该发明还涉及相关方面，包括用于制备这些化合物的过程、含有这些化合物中的一个或多个的药物组成物，特别是它们作为促进睡眠的受体拮抗剂的用途。
• NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1347967A1

  公开（公告）日：2003-10-01
• US7192950B2
  申请人：——

  公开号：US7192950B2

  公开（公告）日：2007-03-20
• [EN] NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] NOUVELLES BENZAZEPINES ET DERIVES HETEROCYCLIQUES ASSOCIES, UTILISES COMME ANTAGONISTES DU RECEPTEUR DE L'OREXINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2002051838A1

  公开（公告）日：2002-07-04

  The invention relates to novel benzazepines and related heterocyclic derivatives (I) and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists.
• [EN] NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES<br/>[FR] NOUVELLES BENZAZEPINES ET DERIVES HETEROCYCLIQUES ASSOCIES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2002051232A2

  公开（公告）日：2002-07-04

  The invention relates to novel benzazepines and related heterocyclic derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists.