6-(5-hydroxymethyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinic acid N',N'-dimethyl-hydrazide | 1246924-47-9

• 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-(5-hydroxymethyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinic acid N',N'-dimethyl-hydrazide
• 英文别名: 6-[[5-(hydroxymethyl)-3-pyridin-2-yl-1,2-oxazol-4-yl]methoxy]-N',N'-dimethylpyridine-3-carbohydrazide
• CAS: 1246924-47-9
• 化学式: C₁₈H₁₉N₅O₄
• 分子量: 369.38
• InChiKey: DHDAZOIKHDUWIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-(5-hydroxymethyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinic acid 、 偏二甲肼 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以62%的产率得到6-(5-hydroxymethyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinic acid N',N'-dimethyl-hydrazide
  参考文献：
  名称：

  SUBSTITUTED ISOXAZOLES

  摘要：

  本发明涉及一种新型的羟甲基异噁唑衍生物，其化学式为I，其中R1、R2和R3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，本发明涉及制备化学式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的用途。

  公开号：

  US20100256127A1

文献信息

• Substituted isoxazoles
  申请人：Hoffmann-La Roche Inc.

  公开号：US08222246B2

  公开（公告）日：2012-07-17

  The present invention is concerned with novel hydroxy-methyl isoxazole derivatives of formula I wherein R1, R2 and R3 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 pharmaceuticals.

  本发明涉及一种新型羟甲基异噁唑衍生物，其化学式为I，其中R1、R2和R3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亲和力和选择性对GABA A α5受体。此外，本发明涉及制造化合物I的活性化合物、含有它们的制药组合物以及它们作为药物的用途。
• Hydroxy-methyl isoxazole derivatives as gaba a modulators
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2414354A1

  公开（公告）日：2012-02-08
• 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.
• US8222246B2
  申请人：——

  公开号：US8222246B2

  公开（公告）日：2012-07-17
• [EN] HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS<br/>[FR] DÉRIVÉS D'HYDROXYMÉTHYLISOXAZOLE EN TANT QUE MODULATEURS DES GABA A
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010112475A1

  公开（公告）日：2010-10-07

  The present invention is concerned with novel hydroxy-methyl isoxazole derivatives of formula (I) wherein R1, R2 and R3 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.