(2-(2H-1.2.3-triazol-2-yl)phenyl )((2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl)methanone | 1088994-00-6

• 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: (2-(2H-1.2.3-triazol-2-yl)phenyl )((2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl)methanone
• 英文别名: (2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl)methanone；[(2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl][2-(2H-1,2,3-triazol-2-yl)phenyl]methanone；(2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl)methanon；((3R,6R)-6-methyl-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)piperidin-3-yl)methanol；[(2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
• CAS: 1088994-00-6
• 化学式: C₁₆H₂₀N₄O₂
• 分子量: 300.36
• InChiKey: CTXGXYUAGVZDPK-CHWSQXEVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  71.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-(2H-1.2.3-triazol-2-yl)phenyl )((2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl)methanone 在 劳森试剂 、 sodium hypochlorite 、 sodium chlorite 、 disodium hydrogenphosphate 、 2,2,6,6-四甲基哌啶氧化物 、 氯化铵 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 16.0h， 生成 (3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-6-methylpiperidine-3-carbothioamide
  参考文献：
  名称：

  [EN] THIAZOLE OREXIN RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES THIAZOLES DES RÉCEPTEURS DE L'OREXINE

  摘要：

  本发明涉及噻唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述噻唑化合物在潜在治疗或预防涉及促进睡眠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药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进睡眠受体的疾病中的用途。

  公开号：

  WO2015018027A1
• 作为产物：
  描述：

  2-(3-氧代丁基)丙二酸二甲酯 在 glucose dehydrogenase 、 甲醇 、 lithium hydroxide 、 sodium hydroxide 、 sodium tetrahydroborate 、 disodium hydrogenphosphate 、 lithium aluminium tetrahydride 、 D-葡萄糖 、 D-丙氨酸 、 水 、 Alpha-二磷酸啶核甙酸 、 三乙胺 、 calcium chloride 、 L-lactate dehydrogenase 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 72.83h， 生成 (2-(2H-1.2.3-triazol-2-yl)phenyl )((2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl)methanone
  参考文献：
  名称：

  WO2008/147518

  摘要：

  公开号：

文献信息

• [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS OXAZOLE ANTAGONISTES DES RÉCEPTEURS D'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015018029A1

  公开（公告）日：2015-02-12

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

  本发明涉及氧唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述氧唑化合物在潜在治疗或预防涉及促进睡眠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药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进睡眠的疾病中的用途。
• [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEUR D'OREXINE À BASE D'OXAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015020930A1

  公开（公告）日：2015-02-12

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

  本发明涉及氧唑化合物，其为促进素受体的拮抗剂。本发明还涉及所述氧唑化合物在潜在的治疗或预防涉及促进素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药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进素受体的疾病中的用途。
• [EN] PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS PIPÉRIDINES ISOXAZOLES ET ISOTHIAZOLES ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016065585A1

  公开（公告）日：2016-05-06

  The present invention is directed to piperidine isoxazole and isothiazole orexin 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 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。
• [EN] PIPERIDINE OXADIAZOLE AND THIADIAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES PIPÉRIDINE OXADIAZOLES ET THIADIAZONES DES RÉCEPTEURS DES OREXINES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016069510A1

  公开（公告）日：2016-05-06

  The present invention is directed to piperidine oxadiazole and thiadiazole orexin 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 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.

  本发明涉及对脑垂体素受体的拮抗剂哌啶噁二唑和噻二唑化合物。本发明还涉及所述化合物在潜在治疗或预防涉及脑垂体素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垂体素受体的疾病中的用途。
• [EN] THIAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEUR D'OREXINE À BASE DE THIAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015020933A1

  公开（公告）日：2015-02-12

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

  本发明涉及噻唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述噻唑化合物在潜在治疗或预防涉及促进睡眠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药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进睡眠的疾病中的用途。