6-[(E)-2-(5-methyl-3-phenyl-isoxazol-4-yl)-vinyl]-N-(tetrahydro-pyran-4-yl)-nicotinamide | 1239465-04-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-[(E)-2-(5-methyl-3-phenyl-isoxazol-4-yl)-vinyl]-N-(tetrahydro-pyran-4-yl)-nicotinamide
• 英文别名: 6-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-N-(oxan-4-yl)pyridine-3-carboxamide
• CAS: 1239465-04-3
• 化学式: C₂₃H₂₃N₃O₃
• 分子量: 389.454
• InChiKey: HIKJFLQNXDJAMG-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  77.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-[(E)-2-(5-methyl-3-phenyl-isoxazol-4-yl)-vinyl]-nicotinic acid methyl ester 、 4-氨基四氢吡喃 生成 6-[(E)-2-(5-methyl-3-phenyl-isoxazol-4-yl)-vinyl]-N-(tetrahydro-pyran-4-yl)-nicotinamide
  参考文献：
  名称：

  ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER

  摘要：

  本发明涉及公式I的新型异噁唑-吡啶化合物，其中R1、R2、R3和L的定义如本文所述，以及其药学上可接受的盐和酯。本发明的活性化合物具有对GABA A α5受体的亲和力和选择性。此外，本发明还涉及制备公式I的活性化合物、包含它们的药物组合物以及它们作为药物剂量的用途。

  公开号：

  US20100216845A1

文献信息

• Isoxazoles / O-pyridines with ethyl and ethenyl linker
  申请人：Buettelmann Bernd

  公开号：US08389550B2

  公开（公告）日：2013-03-05

  The present invention is concerned with novel isoxazole-pyridines of formula I wherein R1, R2, R3 and L are as described herein, as well as pharmaceutically acceptable salts and esters thereof. The active compounds of the present invention have affinity and selectivity for GABA A α5 receptor. Further the present invention is concerned with the manufacture of the active compounds of formula I, pharmaceutical compositions containing them and their use as pharmaceutical agents.

  本发明涉及一种新型异噁唑-吡啶化合物，其化学式为I，其中R1、R2、R3和L如所述，以及其药学上可接受的盐和酯。本发明的活性化合物具有亲和力和选择性作用于GABA A α5受体。此外，本发明涉及制备化合物I的活性化合物、含有它们的药物组合物以及它们作为药物剂量的使用。
• ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2401271A1

  公开（公告）日：2012-01-04
• METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY
  申请人：Carmichael Stanley T.

  公开号：US20130150351A1

  公开（公告）日：2013-06-13

  Methods for treating a central nervous system (CNS) injury in a subject are provided. As of the methods include administering to the subject an effective amount of gamma aminobutyric acid (GABA) receptor signaling inhibitor to treat the subject for the CNS injury. Also provided are compositions useful in embodiments of the methods. Methods and compositions of the invention find use in the treatment of a variety of different CNS injuries, including but not limited to, treating a subject for CNS injury associated with the occurrence of stroke.
• US8389550B2
  申请人：——

  公开号：US8389550B2

  公开（公告）日：2013-03-05
• [EN] ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER<br/>[FR] DÉRIVÉS ISOXAZOLE / O-PYRIDINE AVEC SÉQUENCE DE LIAISON ÉTHYLE ET ÉTHÉNYLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010097368A1

  公开（公告）日：2010-09-02

  The present invention is concerned with novel isoxazole-pyridine derivatives of formula I wherein R1, R2, R3 and L are as described herein, as well as pharmaceutically acceptable salts and esters thereof. The active compounds of the present invention have affinity and selectivity for GABA A α5 receptor.. Further the present invention is concerned with the manufacture of the active compounds of formula I, pharmaceutical compositions containing them and their use as medicaments.