1-(氯氨基)丙酮 | 137182-40-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 中文名称: 1-(氯氨基)丙酮
• 中文别名: 2-溴-4,6-二[(2,3-二溴-4,5-二羟基苯基)甲基]苯-1,3,5-三醇
• 英文名称: 2-bromo-4,6-bis(2,3-dibromo-4,5-dihydroxybenzyl)benzene-1,3,5-triol
• 英文别名: vidalol B；2-bromo-4,6-bis[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]benzene-1,3,5-triol
• CAS: 137182-40-2
• 化学式: C₂₀H₁₃Br₅O₇
• 分子量: 764.839
• InChiKey: KNHOTGMNAPTUGT-UHFFFAOYSA-N

物化性质

• 沸点：
  783.7±60.0 °C(Predicted)
• 密度：
  2.403±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  142
• 氢给体数：
  7
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5,5'-(5-bromo-2,4,6-trimethoxy-1,3-phenylene)bis(methylene)bis(3,4-dibromo-1,2-dimethoxybenzene) 在 三溴化硼 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以93%的产率得到1-(氯氨基)丙酮
  参考文献：
  名称：

  Synthesis and carbonic anhydrase inhibitory properties of novel bromophenols and their derivatives including natural products: Vidalol B

  摘要：

  A series of bisphenol, bromophenol, and methoxyphenol derivatives (2-24) including the natural bromophenols vidalol B, 3,4,6-tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)benzene-1,2-diol (2) and 5,5'-methylenebis(3,4,6-tribromo-benzene-1,2-diol) (3) were prepared. In the current study, inhibition of four human carbonic anhydrase (hCA, EC 4.2.1.1) isozymes, I, II, IV, and VI, with these compounds 2-24 was investigated. The compounds 2-24 were found to be promising carbonic anhydrase inhibitors, some of which showed interesting inhibitory activities. Some of the compounds investigated here showed effective hCA inhibitory activity, and might be used as leads for generating novel carbonic anhydrase inhibitors which are valuable drug candidates for the treatment of glaucoma, epilepsy, gastric and duodenal ulcers, neurological disorders, and osteoporosis. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.05.025