N-mesityl-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide | 640714-45-0

• 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: N-mesityl-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
• 英文别名: N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• CAS: 640714-45-0
• 化学式: C₁₇H₁₉NO₄S
• 分子量: 333.408
• InChiKey: KBKDOQIWUMHWCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  73
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,3-二氢-1,4-苯并二氧-6-磺酰氯 、 2,4,6-三甲基苯胺 在 吡啶 作用下， 反应 4.0h， 以24%的产率得到N-mesityl-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
  参考文献：
  名称：

  Identification of arylsulfonamides as ExoU inhibitors

  摘要：

  ExoU is a potent virulence factor of Pseudomonas aeruginosa and is considered a potential therapeutic target. In order to discover novel ExoU inhibitors, we screened an in-house chemical library utilizing a yeast-based screening system. Some sulfonamides displayed significant activity without nonspecific cytotoxicity. We describe a series of sulfonamides as novel ExoU inhibitors, along with a brief structure-activity relationship.

  DOI：

  10.1016/j.bmcl.2014.06.064

文献信息

• Identification of diarylsulfonamides as agonists of the free fatty acid receptor 4 (FFA4/GPR120)
  作者：Steven M. Sparks、Grace Chen、Jon L. Collins、Dana Danger、Steven T. Dock、Channa Jayawickreme、Stephen Jenkinson、Christopher Laudeman、M. Anthony Leesnitzer、Xi Liang、Patrick Maloney、David C. McCoy、David Moncol、Vincent Rash、Thomas Rimele、Padmaja Vulimiri、James M. Way、Sean Ross

  DOI：10.1016/j.bmcl.2014.05.012

  日期：2014.7

  The exploration of a diarylsulfonamide series of free fatty acid receptor 4 (FFA4/GPR120) agonists is described. This work led to the identification of selective FFA4 agonist 8 (GSK137647A) and selective FFA4 antagonist 39. The in vitro profile of compounds 8 and 39 is presented herein. (C) 2014 Elsevier Ltd. All rights reserved.
• Identification of arylsulfonamides as ExoU inhibitors
  作者：Doran Kim、Jihae Baek、Jiho Song、Hyeyoung Byeon、Hyeyoung Min、Kyung Hoon Min

  DOI：10.1016/j.bmcl.2014.06.064

  日期：2014.8

  ExoU is a potent virulence factor of Pseudomonas aeruginosa and is considered a potential therapeutic target. In order to discover novel ExoU inhibitors, we screened an in-house chemical library utilizing a yeast-based screening system. Some sulfonamides displayed significant activity without nonspecific cytotoxicity. We describe a series of sulfonamides as novel ExoU inhibitors, along with a brief structure-activity relationship.