1-acetyl-5-bromo-1H-pyrimidine-2,4-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-acetyl-5-bromo-1H-pyrimidine-2,4-dione
• 英文别名: 1-Acetyl-5-brom-1H-pyrimidin-2,4-dion；1-Acetyl-5-bromopyrimidine-2,4-dione；1-acetyl-5-bromopyrimidine-2,4-dione
• 化学式: C₆H₅BrN₂O₃
• 分子量: 233.021
• InChiKey: SARYPENZOQCONP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  66.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-acetyl-5-bromo-1H-pyrimidine-2,4-dione 在 盐酸 作用下， 生成 5-溴尿嘧啶
  参考文献：
  名称：

  The Action of Ketene on 5,5-Dibromoxyhydrouracil¹

  摘要：

  DOI：

  10.1021/ja01254a026
• 作为产物：
  描述：

  乙烯酮 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-acetyl-5-bromo-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  The Action of Ketene on 5,5-Dibromoxyhydrouracil¹

  摘要：

  DOI：

  10.1021/ja01254a026

文献信息

• Synthesis and carbonic anhydrase inhibitory properties of novel uracil derivatives
  作者：Murat Güney、Hüseyin Çavdar、Murat Şentürk、Deniz Ekinci

  DOI：10.1016/j.bmcl.2015.05.073

  日期：2015.8

  Carbonic anhydrase (CA) inhibitors are valuable molecules based on several therapeutic applications, including antiglaucoma activity. In the present study, inhibition of two human cytosolic carbonic anhydrase isozymes I and II with some uracil derivatives (3-9) were investigated. Compounds 3-9 showed K-I values in the range of 10.83-464 mu M for hCA I and of 28.88-778.5 mu M against hCA II, respectively. Kinetic investigations showed that similarly to classical CA inhibitors, all investigated natural compounds act as competitive inhibitors with 4-NPA as substrate. Uracil derivatives investigated here are promising agents which may be used as lead molecules in order to derivative novel carbonic anhydrase inhibitors that might be useful in medical applications. (C) 2015 Elsevier Ltd. All rights reserved.
• The Action of Ketene on 5,5-Dibromoxyhydrouracil¹
  作者：Milton Fytelson、Treat B. Johnson

  DOI：10.1021/ja01254a026

  日期：1942.2