2-propyl-imidazole-4-yl carboxylic acid methyl ester | 1228376-85-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-propyl-imidazole-4-yl carboxylic acid methyl ester
• 英文别名: methyl 2-propyl-1H-imidazole-5-carboxylate
• CAS: 1228376-85-9
• 化学式: C₈H₁₂N₂O₂
• 分子量: 168.195
• InChiKey: QDYSALTUYDMCBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氯-6-甲氧基-3-硝基吡啶 、 2-propyl-imidazole-4-yl carboxylic acid methyl ester 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.17h， 生成
  参考文献：
  名称：

  Discovery of Imidazo[1,5-a]pyrido[3,2-e]pyrazines as a New Class of Phosphodiesterase 10A Inhibitiors

  摘要：

  Novel imidazo[1,5-a]pyrido[3,2-e]pyrazines have been synthesized and characterized as both potent and selective phosphodiesterase 10A (PDE10A) inhibitors. For in vitro characterization, inhibition of PDE10A mediated cAMP hydrolysis was used and a QSAR model was established to analyze substitution effects. The outcome of this analysis was complemented by the crystal structure of PDE10A in complex with compound 49. Qualitatively new interactions between inhibitor and binding site were found, contrasting with previously published crystal structures of papaverine-like inhibitors. In accordance with the known antipsychotic potential of PDE10A inhibitors, MK-801 induced stereotypy and hyperactivity in rats were reversed by selected compounds. Thus, a promising compound class has been identified for the treatment of schizophrenia that could circumvent side effects connected with current therapies.

  DOI：

  10.1021/jm1002793

文献信息

• US5811445A
  申请人：——

  公开号：US5811445A

  公开（公告）日：1998-09-22