2-[3-(5-bromo-2,3-dimethoxyphenyl)-[1,2,4]oxadiazol-5-yl]-1-methylpiperidine | 1057585-91-7

• 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-[3-(5-bromo-2,3-dimethoxyphenyl)-[1,2,4]oxadiazol-5-yl]-1-methylpiperidine
• 英文别名: 3-(5-Bromo-2,3-dimethoxyphenyl)-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole；3-(5-bromo-2,3-dimethoxyphenyl)-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole
• CAS: 1057585-91-7
• 化学式: C₁₆H₂₀BrN₃O₃
• 分子量: 382.257
• InChiKey: VTBQDKSEYYCOID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,3-dimethoxy-5-bromobenzamide oxime 、 1-甲基-2-哌啶甲酸甲酯 在 aluminum oxide 、 甲酸 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以52%的产率得到2-[3-(5-bromo-2,3-dimethoxyphenyl)-[1,2,4]oxadiazol-5-yl]-1-methylpiperidine
  参考文献：
  名称：

  Synthesis of 3-(5-bromo-2,3-dimethoxy-phenyl)-[1, 2, 4] oxadiazole analogues and their evaluation as anti-Parkinson′s agents

  摘要：

  A series of 3-(5-bromo-2,3-dimethoxy-phenyl)-[1, 2, 4] oxadiazole derivatives was prepared and their evaluation for anti-Parkinson's activity was measured in vivo using albino rats. The result of the biological activity studies indicated that some of the synthesized compounds have good agonistic activity on the dopamine receptors and a few of them were also found to be free from neurotoxicity. Thus these compounds might be useful ligands for studying the functional role of dopamine receptors in vivo. The high log P value of the compounds indicates that they should easily cross the blood-brain barrier (log P > 2.6).

  DOI：

  10.1007/s00044-007-9074-z

文献信息

• Synthesis of 3-(5-bromo-2,3-dimethoxy-phenyl)-[1, 2, 4] oxadiazole analogues and their evaluation as anti-Parkinson′s agents
  作者：Shashi B. Tiwari、D. V. Kohli

  DOI：10.1007/s00044-007-9074-z

  日期：2008.6

  A series of 3-(5-bromo-2,3-dimethoxy-phenyl)-[1, 2, 4] oxadiazole derivatives was prepared and their evaluation for anti-Parkinson's activity was measured in vivo using albino rats. The result of the biological activity studies indicated that some of the synthesized compounds have good agonistic activity on the dopamine receptors and a few of them were also found to be free from neurotoxicity. Thus these compounds might be useful ligands for studying the functional role of dopamine receptors in vivo. The high log P value of the compounds indicates that they should easily cross the blood-brain barrier (log P > 2.6).