(-)-4-{5-[{1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethyl}(methyl)amino]-4-methyl-4H-1,2,4-triazol-3-yl}-1-methylpyridin-2(1H)-one | 1147757-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (-)-4-{5-[{1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethyl}(methyl)amino]-4-methyl-4H-1,2,4-triazol-3-yl}-1-methylpyridin-2(1H)-one
• 英文别名: 4-[5-[1-[5-(3-Chlorophenyl)-1,2-oxazol-3-yl]ethyl-methylamino]-4-methyl-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
• CAS: 1147757-79-6
• 化学式: C₂₁H₂₁ClN₆O₂
• 分子量: 424.89
• InChiKey: WLIJPIIJRXKUDT-UHFFFAOYSA-N

物化性质

• 沸点：
  661.1±65.0 °C(predicted)
• 密度：
  1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5
  申请人：ISAAC Methvin

  公开号：US20090111821A1

  公开（公告）日：2009-04-30

  The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.

  本发明涉及新化合物，以及用于它们制备的方法，它们在治疗中的应用以及包含这些新化合物的药物组合物。
• [EN] AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5<br/>[FR] DÉRIVÉS D'AMINO1,2,4-TRIAZOLES EN TANT QUE MODULATEURS DU MGLUR5
  申请人：ASTRAZENECA AB

  公开号：WO2009054794A1

  公开（公告）日：2009-04-30

  The present invention relates to new amino 1,2,4-triazole compounds, process for their preparation, pharmaceutical compositions containing said compounds an their use in therapy. The compounds act as modulators of metabotropic glutamate receptors (mGluR) and thus useful in the treatment of transient lower esophageal sphincter relaxations, gastroesophageal reflux disease, pain, anxiety and irritable bowel syndrome.