[(2R,5S)-5-ethynyl-2-methylpiperidin-1-yl][2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

• 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: [(2R,5S)-5-ethynyl-2-methylpiperidin-1-yl][2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
• 英文别名: (2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5S)-5-ethynyl-2-methylpiperidin-1-yl)methanone；[(2R,5S)-5-ethynyl-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
• 化学式: C₁₇H₁₈N₄O
• 分子量: 294.356
• InChiKey: NRVYELDJEOCZHJ-ZIAGYGMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  51
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(2R,5S)-5-ethynyl-2-methylpiperidin-1-yl][2-(2H-1,2,3-triazol-2-yl)phenyl]methanone 在 三乙烯二胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 12.0h， 生成 2-{5-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]isoxazol-3-yl}propan-2-ol
  参考文献：
  名称：

  [EN] PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS
  [FR] COMPOSÉS PIPÉRIDINES ISOXAZOLES ET ISOTHIAZOLES ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE

  摘要：

  本发明涉及对脑嗜睡肽受体的拮抗剂——哌啶异噁唑和异噻唑化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及脑嗜睡肽受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在预防或治疗涉及脑嗜睡肽受体的疾病中的用途。

  公开号：

  WO2016065585A1
• 作为产物：
  描述：

  (2-(2H-1.2.3-triazol-2-yl)phenyl )((2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl)methanone 在 2,2,6,6-四甲基哌啶氧化物 、 碘苯二乙酸 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 [(2R,5S)-5-ethynyl-2-methylpiperidin-1-yl][2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
  参考文献：
  名称：

  [EN] PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS
  [FR] COMPOSÉS PIPÉRIDINES ISOXAZOLES ET ISOTHIAZOLES ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE

  摘要：

  本发明涉及对脑嗜睡肽受体的拮抗剂——哌啶异噁唑和异噻唑化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及脑嗜睡肽受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在预防或治疗涉及脑嗜睡肽受体的疾病中的用途。

  公开号：

  WO2016065585A1

文献信息

• [EN] PIPERIDINYL ALKYNE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES PIPÉRIDINYL ALCYNES DE RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2013062857A1

  公开（公告）日：2013-05-02

  The present invention is directed to piperidinyl alkyne compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the piperidinyl alkyne 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.

  本发明涉及对脑垂体素受体拮抗剂的哌啶基炔化合物。本发明还涉及在治疗或预防神经和精神障碍以及涉及脑垂体素受体的疾病中使用本文所述的哌啶基炔化合物。本发明还涉及包含这些化合物的药物组合物。本发明还涉及在预防或治疗涉及脑垂体素受体的疾病中使用这些药物组合物。
• PIPERIDINYL ALKYNE OREXIN RECEPTOR ANTAGONISTS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20140243368A1

  公开（公告）日：2014-08-28

  The present invention is directed to piperidinyl alkyne compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the piperidinyl alkyne 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.

  本发明涉及对荷尔蒙受体拮抗剂的哌啶基炔化合物。本发明还涉及使用本文描述的哌啶基炔化合物在治疗或预防神经和精神障碍和疾病方面的用途，其中荷尔蒙受体参与其中。本发明还涉及包含这些化合物的制药组合物。本发明还涉及使用这些制药组合物在预防或治疗荷尔蒙受体参与的这些疾病方面的用途。
• Piperidinyl alkyne orexin receptor antagonists
  申请人：Kuduk Scott D.

  公开号：US08940898B2

  公开（公告）日：2015-01-27

  The present invention is directed to piperidinyl alkyne compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the piperidinyl alkyne 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.

  本发明涉及对于促进睡眠的荷尔蒙受体的拮抗剂——哌啶基炔烃化合物。本发明还涉及使用本文所述的哌啶基炔烃化合物在治疗或预防神经学和精神学疾病中，其中促进睡眠的荷尔蒙受体起到作用。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这些疾病中，其中促进睡眠的荷尔蒙受体起到作用。
• Piperidine isoxazole and isothiazole orexin receptor antagonists
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10017504B2

  公开（公告）日：2018-07-10

  The present invention is directed to piperidine isoxazole and isothiazole orexin compounds which are antagonists of orexin receptors. Such compounds are of the general structural formula I: wherein the variables are defined herein. 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 compositions comprising these compounds. The present invention is also directed to uses of these compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及哌啶异恶唑和异噻唑奥曲肽化合物，它们是奥曲肽受体的拮抗剂。此类化合物的结构通式为 I： 其中变量的定义见本文。 本发明还涉及本文所述化合物在潜在治疗或预防涉及奥曲肽受体的神经和精神疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在预防或治疗涉及奥曲肽受体的此类疾病中的用途。
• US8940898B2
  申请人：——

  公开号：US8940898B2

  公开（公告）日：2015-01-27