2-Bromo-1-(4-methanesulfonylphenyl)ethan-1-ol | 93514-49-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Bromo-1-(4-methanesulfonylphenyl)ethan-1-ol
• 英文别名: 2-bromo-1-(4-methylsulfonylphenyl)ethanol
• CAS: 93514-49-9
• 化学式: C₉H₁₁BrO₃S
• mdl: MFCD24231007
• 分子量: 279.155
• InChiKey: SDDHFFNZCDQTFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Bromo-1-(4-methanesulfonylphenyl)ethan-1-ol 、 异丙胺 生成 1-(4-Methylsulfonylphenyl)-1-hydroxy-2-isopropylaminoethane
  参考文献：
  名称：

  LAFON, L.

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴-1-(4-甲磺酰基)苯乙酮 在 sodium tetrahydroborate 作用下， 生成 2-Bromo-1-(4-methanesulfonylphenyl)ethan-1-ol
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of the major metabolites of imrecoxib

  摘要：

  We have developed a novel and moderately selective COX-2 inhibitor, imrecoxib, as a new anti-inflammatory drug. We describe herein the preparation of the major metabolites M2 and M4 of imrecoxib, as well as the in vitro and in vivo activities of the two compounds. The results showed that both M2 and M4 are potential COXs inhibitors with a moderate COX-1/COX-2 selectivity, and their anti-inflammatory activity in vivo was equal to or slightly higher than the clinical celecoxib. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.090

文献信息

• LAFON, L.
  作者：LAFON, L.

  DOI：——

  日期：——
• Synthesis and anti-inflammatory activity of the major metabolites of imrecoxib
  作者：Zhiqiang Feng、Fengming Chu、Zongru Guo、Piaoyang Sun

  DOI：10.1016/j.bmcl.2009.02.090

  日期：2009.4

  We have developed a novel and moderately selective COX-2 inhibitor, imrecoxib, as a new anti-inflammatory drug. We describe herein the preparation of the major metabolites M2 and M4 of imrecoxib, as well as the in vitro and in vivo activities of the two compounds. The results showed that both M2 and M4 are potential COXs inhibitors with a moderate COX-1/COX-2 selectivity, and their anti-inflammatory activity in vivo was equal to or slightly higher than the clinical celecoxib. (c) 2009 Elsevier Ltd. All rights reserved.