5-methoxy-N-(4-(methylthio)phenyl)benzo[d]oxazol-2-amine | 929717-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 5-methoxy-N-(4-(methylthio)phenyl)benzo[d]oxazol-2-amine
• 英文别名: 5-methoxy-N-(4-methylsulfanylphenyl)-1,3-benzoxazol-2-amine
• CAS: 929717-90-8
• 化学式: C₁₅H₁₄N₂O₂S
• 分子量: 286.354
• InChiKey: AGAAUWCDNZOZSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 potassium superoxide 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 5-methoxy-N-(4-(methylthio)phenyl)benzo[d]oxazol-2-amine
  参考文献：
  名称：

  Synthesis and evaluation of benzoxazole derivatives as 5-lipoxygenase inhibitors

  摘要：

  5-Lipoxygenase (5-LOX) is important enzyme in the biosynthesis of leukotrienes, and is a potential target in the treatment of asthma and allergy. We designed and synthesized a series of benzoxazoles and benzothiazoles as 5-LOX inhibitors. Fourteen compounds prepared showed the inhibition of LTC4 formation with IC50 value of 0.12-23.88 mu M. Also two compounds 2d and 2g showed improved airway hypersensitiveness. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.08.047

文献信息

• Synthesis and evaluation of benzoxazole derivatives as 5-lipoxygenase inhibitors
  作者：Hyunmin Song、Sei-Ryang Oh、Hyeong-Kyu Lee、Gyoonhee Han、Joo-Heon Kim、Hyeun Wook Chang、Kyung-Eun Doh、Hee-Kyung Rhee、Hea-Young Park Choo

  DOI：10.1016/j.bmc.2010.08.047

  日期：2010.11

  5-Lipoxygenase (5-LOX) is important enzyme in the biosynthesis of leukotrienes, and is a potential target in the treatment of asthma and allergy. We designed and synthesized a series of benzoxazoles and benzothiazoles as 5-LOX inhibitors. Fourteen compounds prepared showed the inhibition of LTC4 formation with IC50 value of 0.12-23.88 mu M. Also two compounds 2d and 2g showed improved airway hypersensitiveness. (C) 2010 Elsevier Ltd. All rights reserved.