2-[(3R,6R)-3-(6-methoxy-2-phenylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-[(3R,6R)-3-(6-methoxy-2-phenylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
• 化学式: C₂₆H₂₆N₄O₃
• 分子量: 442.5
• InChiKey: OLKWRVKDNJHLLH-WGDIFIGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  97.1
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] 2-PYRIDYLOXY-3-SUBSTITUTED-4-NITRILE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR DE LA 2-PYRIDYLOXY-3-SUBSTITUÉE-4-NITRILE ORÉXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014066196A1

  公开（公告）日：2014-05-01

  The present invention is directed to 2-pyridyloxy-3-substituted-4-nitrile compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridyloxy-3-substituted-4-nitrile compounds described herein in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及2-吡啶氧基-3-取代-4-腈化合物，其是促进睡眠荷尔蒙受体的拮抗剂。本发明还涉及使用本文所述的2-吡啶氧基-3-取代-4-腈化合物在治疗或预防神经系统和精神疾病中的用途，其中涉及促进睡眠荷尔蒙受体。本发明还涉及包含这些化合物的制药组合物。本发明还涉及使用这些制药组合物在预防或治疗涉及促进睡眠荷尔蒙受体的疾病中的用途。
• 2-PYRIDYLOXY-3-SUBSTITUTED-4-NITRILE OREXIN RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2911675A1

  公开（公告）日：2015-09-02
• METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASES
  申请人：INSERM (Institut National de la Santé et de la Recherche Médicale)

  公开号：EP3454857A1

  公开（公告）日：2019-03-20
• [EN] METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASES<br/>[FR] MÉTHODES ET COMPOSITIONS PHARMACEUTIQUES POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES AUTO-IMMUNES
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECH MÉDICALE)

  公开号：WO2017194548A1

  公开（公告）日：2017-11-16

  The present invention relates to methods and pharmaceutical compositions for the treatment of autoimmune inflammatory diseases. The inventors showed that orexin receptor antagonists have anti-inflammatory properties. Indeed, these compounds are antagonist for OX1R-mediated calcium mobilization but a full agonist for OX1R-mediated mitochondrial apoptosis, which is the mechanism involved in the improvement of resolution of inflammation observed in the models of colitis, multiple sclerosis and pancreatitis. In particular, the present invention relates to a method of treating an autoimmune inflammatory disease in a subject in need thereof comprising administering to the subject a therapeutically effective amount of at least one OX1R antagonist.