4-[3-(2-pyridyl)propyloxy]nitrobenzene | 677717-37-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[3-(2-pyridyl)propyloxy]nitrobenzene
• 英文别名: 2-[3-(4-nitrophenoxy)propyl]pyridine
• CAS: 677717-37-2
• 化学式: C₁₄H₁₄N₂O₃
• 分子量: 258.277
• InChiKey: RAUKWUWAQDGHGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  65.26
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-[3-(2-pyridyl)propyloxy]nitrobenzene 在 palladium on activated charcoal 氢气 、 四氯化钛 作用下， 以 甲醇 、 乙二醇二甲醚 为溶剂， 生成 2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
  参考文献：
  名称：

  Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors

  摘要：

  In a previous paper, we reported that an imidazole derivative I exhibited a potent inhibitory activity of 20-HETE synthase (1; IC50 value of 5.7 nM), but this compound also exhibited little selectivity for cytochrome P450s (CYPs). We examined some derivatives of imidazole I which had an amino group on the side chain, and found that a dimethylaminohexyloxy derivative (3g ;IC50 value of 8.8 nM) showed potent and selective inhibitory activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.005
• 作为产物：
  描述：

  2-吡啶丙醇 、 对氟硝基苯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[3-(2-pyridyl)propyloxy]nitrobenzene
  参考文献：
  名称：

  Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors

  摘要：

  In a previous paper, we reported that an imidazole derivative I exhibited a potent inhibitory activity of 20-HETE synthase (1; IC50 value of 5.7 nM), but this compound also exhibited little selectivity for cytochrome P450s (CYPs). We examined some derivatives of imidazole I which had an amino group on the side chain, and found that a dimethylaminohexyloxy derivative (3g ;IC50 value of 8.8 nM) showed potent and selective inhibitory activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.005