3-(5-methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-isothiazole-5-carboxylic acid (2-hydroxy-ethyl)-amide | 1240402-33-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 3-(5-methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-isothiazole-5-carboxylic acid (2-hydroxy-ethyl)-amide
• 英文别名: N-(2-hydroxyethyl)-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-1,2-thiazole-5-carboxamide
• CAS: 1240402-33-8
• 化学式: C₁₆H₁₆N₄O₄S
• 分子量: 360.393
• InChiKey: VQQGELMJIVEMIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-(5-methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-isothiazole-5-carboxylic acid methyl ester 、 C.I.酸性橙108 以instead of isopropyl amine, to the title compound (90 mg, 82%) which was obtained as a white solid的产率得到异丙胺
  参考文献：
  名称：

  Isoxazole-isoxazoles and isoxazole-isothiazoles

  摘要：

  本发明涉及式I的异噁唑-异噁唑和异噁唑-异硫唑，具有亲和力和选择性对于GABA A α5受体，它们的制造，含有它们的制药组合物以及它们作为认知增强剂的用途或治疗和/或预防认知障碍如阿尔茨海默病的药物治疗。

  公开号：

  US08173652B2

文献信息

• ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES
  申请人：Hernandez Maria-Clemencia

  公开号：US20100210651A1

  公开（公告）日：2010-08-19

  The present invention is concerned with isoxazole-isoxazoles and isoxazole-isothiazoles of formula I, having affinity and selectivity for GABA A α5 receptor, their manufacture, pharmaceutical compositions containing them and their use as cognitive enhancers or for the therapeutic and/or prophylactic treatment of cognitive disorders like Alzheimer's disease.

  本发明涉及具有亲和力和选择性作用于GABA A α5受体的式I的异噁唑-异噁唑和异噁唑-异硫唑化合物，其制备方法，含有它们的药物组合物以及它们作为认知增强剂或用于治疗和/或预防认知障碍如阿尔茨海默病的用途。
• ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2398782B1

  公开（公告）日：2013-09-18
• US8173652B2
  申请人：——

  公开号：US8173652B2

  公开（公告）日：2012-05-08
• [EN] ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'ISOXAZOLE-ISOXAZOLE ET D'ISOXAZOLE-ISOTHIAZOLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010094669A1

  公开（公告）日：2010-08-26

  The present invention is concerned with isoxazole-isoxazole and isoxazole-isothiazole derivatives of Formula (I), having affinity and selectivity for GABA A α5 receptor, their manufacture, pharmaceutical compositions containing them and their use as medicaments. The active compounds of the present invention are useful as cognitive enhancer or for the therapeutic and/or prophylactic treatment of cognitive disorders like Alzheimer's disease.