methyl 2-(((3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-6-methylpiperidin-3-yl)oxy)-4-iodonicotinate | 1604795-26-7

• 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: methyl 2-(((3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-6-methylpiperidin-3-yl)oxy)-4-iodonicotinate
• 英文别名: methyl 4-iodo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
• CAS: 1604795-26-7
• 化学式: C₂₂H₂₂IN₅O₄
• 分子量: 547.352
• InChiKey: IWQJTRALNUTNBF-HUUCEWRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  99.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 2-(((3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-6-methylpiperidin-3-yl)oxy)-4-iodonicotinate 在 锂硼氢 作用下， 以 四氢呋喃 为溶剂， 生成 (2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}pyridin-3-yl)methanol
  参考文献：
  名称：

  [EN] 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE SUBSTITUÉS PAR UN GROUPE 2-HYDROXYMÉTHYLE

  摘要：

  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。

  公开号：

  WO2014176144A1
• 作为产物：
  描述：

  1,2-环氧己-5-烯 在 N-羟基-7-氮杂苯并三氮唑 、 palladium on carbon 、 氢气 、 sodium hydride 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 20.0~80.0 ℃ 、500.01 kPa 条件下， 反应 96.08h， 生成 methyl 2-(((3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-6-methylpiperidin-3-yl)oxy)-4-iodonicotinate
  参考文献：
  名称：

  [EN] 2-PYRIDYLOXY-3-ESTER-4-NITRILE OREXIN RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DE TYPE 2-PYRIDYLOXY-3-ESTER-4-NITRILE DES RÉCEPTEURS D'OREXINES

  摘要：

  本发明涉及对俄利新受体拮抗剂的2-吡啶氧基-3-酯基-4-腈类化合物。本发明还涉及所述2-吡啶氧基-3-酯基-4-腈类化合物在治疗或预防神经和精神疾病中的用途，这些疾病中涉及俄利新受体。本发明还涉及含有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俄利新受体的疾病中的用途。

  公开号：

  WO2014062533A1

文献信息

• [EN] 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS 2-PYRIDYLOXY-3-ESTER-4-ÉTHER ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015088864A1

  公开（公告）日：2015-06-18

  The present invention is directed to 2-pyridyloxy-3-ester-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.

  本发明涉及对促醒素受体的拮抗剂2-吡啶氧基-3-酯基-4-醚化合物。本发明还涉及在潜在的治疗或预防神经和精神疾病中使用本文所述的2-吡啶氧基-4-醚化合物。本发明还涉及包含这些化合物的药物组合物。本发明还涉及在预防或治疗促醒素受体参与的这类疾病中使用这些药物组合物。
• 2-PYRIDYLOXY-3-ESTER-4-NITRILE OREXIN RECEPTOR ANTAGONISTS
  申请人：KUDUK Scott D.

  公开号：US20150252033A1

  公开（公告）日：2015-09-10

  The present invention is directed to 2-pyridyloxy-3-ester-4-nitrile compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridyloxy-3-ester-4-nitrile 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-吡啶氧基-3-酯基-4-腈基化合物，其为促进睡眠激素受体的拮抗剂。本发明还涉及使用所述2-吡啶氧基-3-酯基-4-腈基化合物治疗或预防神经和精神障碍疾病，以及其中涉及促进睡眠激素受体的疾病。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预防或治疗涉及促进睡眠激素受体的疾病。
• 3-ESTER-4 SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS
  申请人：KUDUK Scott D.

  公开号：US20150322040A1

  公开（公告）日：2015-11-12

  The present invention is directed to 3-ester-4-substituted compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 3-ester-4-substituted 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3-酯基-4-取代化合物，其为脑下垂体前叶皮层素受体拮抗剂。本发明还涉及使用此处所述的3-酯基-4-取代化合物在潜在的治疗或预防涉及脑下垂体前叶皮层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涉及脑下垂体前叶皮层素受体的疾病中的用途。
• 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。
• EP2908812A1
  申请人：——

  公开号：EP2908812A1

  公开（公告）日：2015-08-26