2-(benzo[b]furan-2-yl)-5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole | 1239713-16-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 2-(benzo[b]furan-2-yl)-5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole
• CAS: 1239713-16-6
• 化学式: C₁₇H₁₂ClNO₂
• 分子量: 297.741
• InChiKey: AXMHLXNQYLGQJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  34.73
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  咪唑 、 2-(benzo[b]furan-2-yl)-5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole 以 醋酸异丙酯 为溶剂， 反应 24.0h， 以72%的产率得到N-[2-(4-chlorophenyl)-2-(1H-1-imidazoyl)ethyl]-benzo[b]furan-2-carboxamide
  参考文献：
  名称：

  Synthesis and CYP24A1 inhibitory activity of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides

  摘要：

  A series of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides were prepared, using an efficient three-to five-step synthesis, and evaluated for their inhibitory activity against human cytochrome P450C24A1 (CYP24A1) hydroxylase. Inhibition ranged from IC50 0.3-72 mu M compared with the standard ketoconazole IC50 0.52 mu M, with the styryl derivative (11c) displaying enhanced activity (IC50 = 0.3 mu M) compared with the standard, providing a useful preliminary lead for drug development. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.011
• 作为产物：
  描述：

  在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 2-(benzo[b]furan-2-yl)-5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazole
  参考文献：
  名称：

  Synthesis and CYP24A1 inhibitory activity of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides

  摘要：

  A series of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides were prepared, using an efficient three-to five-step synthesis, and evaluated for their inhibitory activity against human cytochrome P450C24A1 (CYP24A1) hydroxylase. Inhibition ranged from IC50 0.3-72 mu M compared with the standard ketoconazole IC50 0.52 mu M, with the styryl derivative (11c) displaying enhanced activity (IC50 = 0.3 mu M) compared with the standard, providing a useful preliminary lead for drug development. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.011