(2R,5R)-benzyl 5-azido-2-methylpiperidine-1-carboxylate | 1612786-30-7

• 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,5R)-benzyl 5-azido-2-methylpiperidine-1-carboxylate
• 英文别名: (2R,5R)-Benzyl 5-azido-2-methylpiperidine-1-carboxylate；benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate
• CAS: 1612786-30-7
• 化学式: C₁₄H₁₈N₄O₂
• 分子量: 274.323
• InChiKey: NNEZVHHEUXLOBP-DGCLKSJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2R,5R)-benzyl 5-azido-2-methylpiperidine-1-carboxylate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 、 sodium t-butanolate 、 三甲基膦 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 33.58h， 生成 2-(((3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)thiophene-3-carbonyl)-6-methylpiperidin-3-yl)amino)-3-methoxyisonicotinonitrile
  参考文献：
  名称：

  [EN] 2-PYRIDYLAMINO-4-NITRILE-PIPERIDINYL OREXIN RECEPTOR ANTAGONISTS
  [FR] COMPOSÉS DE 2-PYRIDYLAMINO-4-NITRILE-PIPÉRIDINYL, ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE

  摘要：

  本发明涉及2-吡啶基氨基-4-硝基-哌啶基化合物，其是促进睡眠激素受体的拮抗剂。本发明还涉及使用本文所述的2-吡啶基氨基-4-硝基-哌啶基化合物治疗或预防涉及促进睡眠激素受体的神经和精神疾病和疾病的用途。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涉及促进睡眠激素受体的疾病中的用途。

  公开号：

  WO2014085208A1
• 作为产物：
  描述：

  (2R,5S)-5-羟基-2-甲基哌啶-1-羧酸苄酯 在 4-二甲氨基吡啶 、 sodium azide 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2R,5R)-benzyl 5-azido-2-methylpiperidine-1-carboxylate
  参考文献：
  名称：

  orexin-2选择性受体拮抗剂的研究：结构修饰导致双重orexin受体拮抗剂。

  摘要：

  在探索使用orexin受体拮抗剂治疗失眠的持续努力中，对双重orexin受体拮抗剂（DORA）进行了结构修饰，从而产生了对OX2R亚型具有选择性的化合物，最终发现了23种高效能的OX2R选择性分子表现出有希望的体内轮廓。进一步的结构修饰导致OX1R拮抗作用的意外恢复。本文讨论了这些变化，并提出了基于计算建模的选择性原理。

  DOI：

  10.1016/j.bmcl.2017.02.012

文献信息

• [EN] FUSED HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'HÉTÉROARYLES FUSIONNÉS EN TANT QU'ANTAGONISTES DES RÉCEPTEURS DES ORÉXINES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016101119A1

  公开（公告）日：2016-06-30

  Fused heteroaryl derivative compounds which are antagonists of orexin receptors are provided. The compounds can be used in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. Also provided is a composition which comprises the compound can be use to prevent or treat such diseases in which orexin receptors are involved.

  提供了与异杂环衍生物化合物，这些化合物是促进睡眠的受体拮抗剂。这些化合物可用于潜在治疗或预防涉及促进睡眠的受体的神经和精神疾病。还提供了一种包含该化合物的组合物，可用于预防或治疗涉及促进睡眠的受体的这类疾病。
• [EN] PIPERIDINYLOXY LACTONE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS PIPÉRIDINYLOXY LACTONE SERVANT D'ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015095442A1

  公开（公告）日：2015-06-25

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

  本发明涉及对奥雷克星受体的拮抗剂-哌啶氧代内酯化合物。本发明还涉及所述哌啶氧代内酯化合物在潜在的涉及奥雷克星受体的神经和精神障碍和疾病的治疗或预防中的用途。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奥雷克星受体的疾病中的用途。
• [EN] 2-AMINO-3-ESTER-PYRIDYL OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS 2-AMINO-3-ESTER-PYRIDYLE SERVANT D'ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015095441A1

  公开（公告）日：2015-06-25

  The present invention is directed to 2-amino-3-ester pyridyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-amino-3-ester pyridyl 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-氨基-3-酯吡啶化合物，它们是促进素受体拮抗剂。本发明还涉及这些2-氨基-3-酯吡啶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，其中促进素受体参与其中。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素受体参与的疾病中的用途。
• 2-PYRIDYLAMINO-4-NITRILE-PIPERIDINYL OREXIN RECEPTOR ANTAGONISTS
  申请人：KUDUK Scott D.

  公开号：US20150322039A1

  公开（公告）日：2015-11-12

  The present invention is directed to 2-pyridylamino-4-nitrile-piperidinyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridylamino-4-nitrile-piperidinyl 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-吡啶基氨基-4-硝基哌啶基化合物，它们是促进睡眠的荷尔蒙受体拮抗剂。本发明还涉及上述2-吡啶基氨基-4-硝基哌啶基化合物在治疗或预防涉及荷尔蒙受体的神经系统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制药组合物。本发明还涉及这些制药组合物在预防或治疗涉及荷尔蒙受体的疾病中的用途。
• 2-AMINO-3-ESTER-PYRIDYL OREXIN RECEPTOR ANTAGONISTS
  申请人：KUDUK SCOTT D.

  公开号：US20160318900A1

  公开（公告）日：2016-11-03

  The present invention is directed to 2-amino-3-ester pyridyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-amino-3-ester pyridyl 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.