3-bromo-4-methoxy-2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}pyridine

• 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-bromo-4-methoxy-2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}pyridine
• 英文别名: 3-bromo-4-methoxy-2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl) phenyl]carbonyl}piperidin-3-yl]oxy}pyridine；[(2R,5R)-5-(3-bromo-4-methoxypyridin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
• 化学式: C₂₁H₂₂BrN₅O₃
• 分子量: 472.341
• InChiKey: DNTQSCWLONKTPQ-HUUCEWRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-bromo-4-methoxy-2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}pyridine 在 sodium periodate 、 四氧化锇 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 caesium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 生成 4-methoxy-2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}pyridine-3-carbaldehyde
  参考文献：
  名称：

  [EN] 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES 2-PYRIDYLOXY-4-ÉTHER DES RÉCEPTEURS DE L'OREXINE

  摘要：

  本发明涉及2-吡啶氧基-4-醚化合物，这些化合物是促进睡眠的受体拮抗剂。本发明还涉及在潜在治疗或预防神经系统和精神疾病中使用本文所述的2-吡啶氧基-4-醚化合物。本发明还涉及包括这些化合物的药物组合物。本发明还涉及在预防或治疗涉及促进睡眠的受体的这些疾病中使用这些药物组合物。

  公开号：

  WO2014137883A1

文献信息

• [EN] 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE SUBSTITUÉS PAR UN GROUPE 2-HYDROXYMÉTHYLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014176144A1

  公开（公告）日：2014-10-30

  The present invention is directed to 2-hydroxymethyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential 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.

  本发明涉及对促觉醒素受体拮抗剂的2-羟甲基化合物。本发明还涉及所述化合物在潜在治疗或预防促觉醒素受体参与的神经学和精神疾病和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗促觉醒素受体参与的这类疾病中的用途。
• 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS
  申请人：KUDUK Scott D.

  公开号：US20160016935A1

  公开（公告）日：2016-01-21

  The present invention is directed to 2-pyridyloxy-4-ether compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridyloxy-4-ether compounds described herein in the potential 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-4-醚类化合物，其为促进睡眠荷尔蒙受体的拮抗剂。本发明还涉及使用此处所述的2-吡啶氧基-4-醚类化合物在潜在的神经和精神障碍和疾病的治疗或预防中，其中促进睡眠荷尔蒙受体发挥作用。本发明还涉及包含这些化合物的药物组合物。本发明还涉及使用这些药物组合物在预防或治疗促进睡眠荷尔蒙受体发挥作用的疾病中。
• 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS
  申请人：KUDUK Scott D.

  公开号：US20160102073A1

  公开（公告）日：2016-04-14

  The present invention is directed to 2-hydroxymethyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential 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-羟甲基化合物，它们是促进睡眠的药物受体拮抗剂。本发明还涉及上述化合物在潜在的神经和精神障碍和疾病的治疗或预防中的用途，其中促进睡眠的药物受体参与其中。本发明还涉及包含这些化合物的制药组合物。本发明还涉及这些制药组合物在预防或治疗促进睡眠的药物受体参与的疾病中的用途。
• US9745284B2
  申请人：——

  公开号：US9745284B2

  公开（公告）日：2017-08-29
• [EN] 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES 2-PYRIDYLOXY-4-ÉTHER DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014137883A1

  公开（公告）日：2014-09-12

  The present invention is directed to 2-pyridyloxy-4-ether compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridyloxy-4-ether compounds described herein in the potential 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-4-醚化合物，这些化合物是促进睡眠的受体拮抗剂。本发明还涉及在潜在治疗或预防神经系统和精神疾病中使用本文所述的2-吡啶氧基-4-醚化合物。本发明还涉及包括这些化合物的药物组合物。本发明还涉及在预防或治疗涉及促进睡眠的受体的这些疾病中使用这些药物组合物。