3-Amino-6-(4-chlorophenyl)-4-phenylpyran-2-one | 1262229-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 3-Amino-6-(4-chlorophenyl)-4-phenylpyran-2-one
• CAS: 1262229-63-9
• 化学式: C₁₇H₁₂ClNO₂
• 分子量: 297.741
• InChiKey: RIUSQHONMLIZMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(4-chlorophenyl)-3-phenylprop-2-yn-1-ol 在 盐酸 、 Jones reagent 、 水 、 sodium hydroxide 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 2.0h， 生成 3-Amino-6-(4-chlorophenyl)-4-phenylpyran-2-one
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-amino-2-pyrones as selective cyclooxygenase-1 (COX-1) inhibitors

  摘要：

  A group of 3-amino-2-pyrones were synthesized and their biological activities were evaluated for inhibiting cyclooxygenase (COX) activity. This study has led to the identification of COX-1-selective inhibitors. Among the tested compounds, the compound 5j exhibited the most potent COX-1 inhibitory activity (IC50 = 19.32 mu g/mL) and COX-1 selectivity index (SI = 41.98). (C) 2013 Qing-Fa Zhou. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.01.005

文献信息

• Synthesis and biological evaluation of 3-amino-2-pyrones as selective cyclooxygenase-1 (COX-1) inhibitors
  作者：Xue-Ping Chu、Qing-Fa Zhou、Shen Zhao、Fei-Fei Ge、Mian Fu、Jia-Peng Chen、Tao Lu

  DOI：10.1016/j.cclet.2013.01.005

  日期：2013.2

  A group of 3-amino-2-pyrones were synthesized and their biological activities were evaluated for inhibiting cyclooxygenase (COX) activity. This study has led to the identification of COX-1-selective inhibitors. Among the tested compounds, the compound 5j exhibited the most potent COX-1 inhibitory activity (IC50 = 19.32 mu g/mL) and COX-1 selectivity index (SI = 41.98). (C) 2013 Qing-Fa Zhou. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.