2(R)S-2-(2,3,6-tribromo-4,5-dihydroxybenzyl)cyclohexanone | 1359864-87-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2(R)S-2-(2,3,6-tribromo-4,5-dihydroxybenzyl)cyclohexanone
• 英文别名: 2-[(2,3,6-Tribromo-4,5-dihydroxyphenyl)methyl]cyclohexan-1-one；2-[(2,3,6-tribromo-4,5-dihydroxyphenyl)methyl]cyclohexan-1-one
• CAS: 1359864-87-1
• 化学式: C₁₃H₁₃Br₃O₃
• 分子量: 456.956
• InChiKey: LLMBLIAKCCQZSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 水 作用下， 反应 1.0h， 生成 2(R)S-2-(2,3,6-tribromo-4,5-dihydroxybenzyl)cyclohexanone
  参考文献：
  名称：

  Synthesis and carbonic anhydrase inhibitory properties of novel cyclohexanonyl bromophenol derivatives

  摘要：

  The Naturally occurring novel cyclohexanonyl bromophenol 2(R)-2-(2,3,6-tribromo-4,5-dihydroxybenzyl) cyclohexanone (4) was synthesized as a racemic compound. Cyclohexylphenyl methane derivatives (10-17) with Br, OMe, CO, and OH were also obtained. Inhibition of four human carbonic anhydrase (hCA, EC 4.2.1.1) isozymes I, II, IV, and VI, with compounds 2-4, 8, and 10-26 was investigated. These compounds were found to be promising carbonic anhydrase inhibitors and some of them showed interesting inhibitory activity. 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) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.069