(2R,5R)-(9H-fluoren-9-yl)methyl 2-methyl-5-(2-oxo-1,3,4-oxathiazol-5-yl)piperidine-1-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (2R,5R)-(9H-fluoren-9-yl)methyl 2-methyl-5-(2-oxo-1,3,4-oxathiazol-5-yl)piperidine-1-carboxylate
• 英文别名: 9H-fluoren-9-ylmethyl (2R,5R)-2-methyl-5-(2-oxo-1,3,4-oxathiazol-5-yl)piperidine-1-carboxylate
• 化学式: C₂₃H₂₂N₂O₄S
• 分子量: 422.505
• InChiKey: USJQZNNBFAUNQD-HUUCEWRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  93.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2R,5R)-(9H-fluoren-9-yl)methyl 2-methyl-5-(2-oxo-1,3,4-oxathiazol-5-yl)piperidine-1-carboxylate 以 四氢呋喃 、 邻二氯苯 为溶剂， 反应 2.33h， 生成 (2R,5R)-(9H-fluoren-9-yl)methyl 5-(5-(2-hydroxypropan-2-yl)isothiazol-3-yl)-2-methylpiperidine-1-carboxylate
  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：

  ((3R,6R)-6-methylpiperidin-3-yl)methanol hydrochloride 在 sodium hypochlorite 、 sodium chlorite 、 disodium hydrogenphosphate 、 2,2,6,6-四甲基哌啶氧化物 、 碳酸氢钠 、 氯化铵 、 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 甲苯 、 乙腈 为溶剂， 反应 4.0h， 生成 (2R,5R)-(9H-fluoren-9-yl)methyl 2-methyl-5-(2-oxo-1,3,4-oxathiazol-5-yl)piperidine-1-carboxylate
  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] 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。
• 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。
• Piperidine oxadiazole and thiadiazole orexin receptor antagonists
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10308645B2

  公开（公告）日：2019-06-04

  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.

  本发明涉及哌啶噁二唑和噻二唑奥曲肽化合物，它们是奥曲肽受体的拮抗剂。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。
• PIPERIDINE OXADIAZOLE AND THIADIAZOLE OREXIN RECEPTOR ANTAGONISTS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20170313693A1

  公开（公告）日：2017-11-02

  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.
• PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170327490A1

  公开（公告）日：2017-11-16

  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.