2-(2-Chlorophenyl)benzo[h][3,1]benzoxazin-4-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(2-Chlorophenyl)benzo[h][3,1]benzoxazin-4-one
• 化学式: C₁₈H₁₀ClNO₂
• 分子量: 307.736
• InChiKey: YCRAYDWMMFMJNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-氨基-2-萘甲酸 、 邻氯苯甲酰氯 在 吡啶 作用下， 反应 16.0h， 生成 2-(2-Chlorophenyl)benzo[h][3,1]benzoxazin-4-one
  参考文献：
  名称：

  2-Substituted benzoxazinone analogues as anti-human coronavirus (anti-HCoV) and ICAM-1 expression inhibition agents

  摘要：

  A series of 2-substituted benzoxazinones were synthesized and subjected to anti-human coronavirus and ICAM-1 expression inhibition assays. Among them, compounds 1, 3, 4, 5, 6, and 7 exhibited significant anti-HCoV activities, and the IC50 value of these compounds are 6.08, 5.06, 6.83, 1.92, 7.59, and 5.79 mug/mL, respectively. Furthermore, compounds 1 and 6 showed significant inhibitory effect on ICAM-1 expression, the ED50 values of 1 and 6 are 1.00 and 0.50 mug/mL, respectively. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.083