N-(naphthalen-1-yl)benzo[d]isoxazol-3-amine | 1195057-30-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(naphthalen-1-yl)benzo[d]isoxazol-3-amine
• 英文别名: N-naphthalen-1-yl-1,2-benzoxazol-3-amine
• CAS: 1195057-30-7
• 化学式: C₁₇H₁₂N₂O
• 分子量: 260.295
• InChiKey: SOIDHQDYGYBXPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 potassium tert-butylate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 1.5h， 生成 N-(naphthalen-1-yl)benzo[d]isoxazol-3-amine
  参考文献：
  名称：

  A strategy of employing aminoheterocycles as amide mimics to identify novel, potent and bioavailable soluble epoxide hydrolase inhibitors

  摘要：

  Distinct from previously reported urea and amide inhibitors of soluble epoxide hydrolase (sEH), a novel class of inhibitors were rationally designed based on the X-ray structure of this enzyme and known amide inhibitors. The structure-activity relationship (SAR) study was focused on improving the sEH inhibitory activity. Aminobenzisoxazoles emerged to be the optimal series, of which a potent human sEH inhibitor 7t was identified with a good pharmacokinetics (PK) profile. The strategy of employing aminoheterocycles as amide replacements may represent a general approach to develop mimics of known hydrolase or protease inhibitors containing an amide moiety. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.006