| 1265192-89-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1265192-89-9
• 化学式: C₁₃H₁₆N₂O₄
• 分子量: 264.281
• InChiKey: ADAVFYLLCBBJGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.95
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  87.99
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 作用下， 以86%的产率得到6-acetoamido-3,5-dimethyl benzisoxazole
  参考文献：
  名称：

  Synthesis of a novel human PPARδ selective agonist and its stimulatory effect on oligodendrocyte differentiation

  摘要：

  We successfully synthesized a novel peroxisome proliferator-activated receptor (PPAR)delta selective agonist, namely, compound 20, with a characteristic benzisoxazole ring. Compound 20 exhibited potent human PPAR delta transactivation activity and high d selectivity. Further, it stimulated differentiation of primary oligodendrocyte precursor cells in vitro, indicating that it may be an effective drug in the treatment of demyelinating disorders such as multiple sclerosis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.030
• 作为产物：
  描述：

  N-[5-hydroxy-4-(N-hydroxy-C-methylcarbonimidoyl)-2-methylphenyl]acetamide 、 乙酸酐 以94%的产率得到
  参考文献：
  名称：

  Synthesis of a novel human PPARδ selective agonist and its stimulatory effect on oligodendrocyte differentiation

  摘要：

  We successfully synthesized a novel peroxisome proliferator-activated receptor (PPAR)delta selective agonist, namely, compound 20, with a characteristic benzisoxazole ring. Compound 20 exhibited potent human PPAR delta transactivation activity and high d selectivity. Further, it stimulated differentiation of primary oligodendrocyte precursor cells in vitro, indicating that it may be an effective drug in the treatment of demyelinating disorders such as multiple sclerosis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.030