methyl 2-[(3R,6R)-3-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-4-methylsulfanylpyridine-3-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2-[(3R,6R)-3-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxy-4-methylsulfanylpyridine-3-carboxylate
• 化学式: C₂₅H₂₅FN₄O₄S
• 分子量: 496.6
• InChiKey: DLIVBMLCGJBIRO-SGANQWHYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• 3-ESTER-4-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2934516A1

  公开（公告）日：2015-10-28
• USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES
  申请人：INSERM (Institut National de la Santé et de la Recherche Médicale)

  公开号：EP3223803A1

  公开（公告）日：2017-10-04
• METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CANCER
  申请人：INSERM (Institut National de la Santé et de la Recherche Médicale)

  公开号：EP3218007A1

  公开（公告）日：2017-09-20
• METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY DISEASES
  申请人：INSERM (Institut National de la Santé et de la Recherche Médicale)

  公开号：EP3454857A1

  公开（公告）日：2019-03-20
• [EN] 3-ESTER-4-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE 3-ESTER-4-SUBSTITUÉS
  申请人：MERCK SHARP & DOHME

  公开号：WO2014099697A1

  公开（公告）日：2014-06-26

  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.