2-Ethyl-8-methoxy-benzo[d][1,3]oxazin-4-one | 859151-15-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-Ethyl-8-methoxy-benzo[d][1,3]oxazin-4-one
• CAS: 859151-15-8
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.213
• InChiKey: ZCKZXYNOLUGTOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.76
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  52.33
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Ethyl-8-methoxy-benzo[d][1,3]oxazin-4-one 在 N-甲基吡咯烷酮 、 溴 、 sodium acetate 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 1-(2,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-1-[1-[8-methoxy-3-(4-methylpiperazin-1-yl)-4-oxoquinazolin-2-yl]ethyl]urea
  参考文献：
  名称：

  Quinazolinone fungal efflux pump inhibitors. Part 2: In vitro structure–activity relationships of (N-methyl-piperazinyl)-containing derivatives

  摘要：

  Structure-activity relationships of a novel series of fungal efflux pump inhibitors with respect to potentiation of the activity of fluconazole against strains of Candida albicans and Candida glabrata over-expressing ABC-type efflux pumps are systematically explored. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.071
• 作为产物：
  描述：

  2-氨基-3-甲氧基苯甲酸 、 丙酸酐 生成 2-Ethyl-8-methoxy-benzo[d][1,3]oxazin-4-one
  参考文献：
  名称：

  Quinazolinone fungal efflux pump inhibitors. Part 2: In vitro structure–activity relationships of (N-methyl-piperazinyl)-containing derivatives

  摘要：

  Structure-activity relationships of a novel series of fungal efflux pump inhibitors with respect to potentiation of the activity of fluconazole against strains of Candida albicans and Candida glabrata over-expressing ABC-type efflux pumps are systematically explored. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.071

文献信息

• The evaluation of 2,8-disubstituted benzoxazinone derivatives as anti-inflammatory and anti-platelet aggregation agents
  作者：Pei-Wen Hsieh、Tsong-Long Hwang、Chin-Chung Wu、Fang-Rong Chang、Tsai-Wei Wang、Yang-Chang Wu

  DOI：10.1016/j.bmcl.2005.03.104

  日期：2005.6

  A series of 2,8-disubstituted benzoxazinones were synthesized and subjected to anti-platelet aggregation, inhibition of superoxide anion generation, and inhibition of neutrophil elastase release assays. Among them, 2-(2'-substituted-phenyl)-benzoxazinones exhibited significant inhibitory effect to target assays. Additionally, all of them were more potent than aspirin on AA-induced platelet aggregation, and these suggested that 2-(2'-substituted-phenyl)-benzoxazinones also possess aspirin-like activity. On the other hand, the compounds 6 and 16 showed inhibitory effects on neutrophil elastase release and superoxide generation. (c) 2005 Elsevier Ltd. All rights reserved.