N-[4-(2-thienylmethyleneamino)phenyl]-5-isopropyl-3,8-dimethylazulene-1-sulfonamide | 1338351-04-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N-[4-(2-thienylmethyleneamino)phenyl]-5-isopropyl-3,8-dimethylazulene-1-sulfonamide
• 英文别名: 3,8-dimethyl-5-propan-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]azulene-1-sulfonamide
• CAS: 1338351-04-4
• 化学式: C₂₆H₂₆N₂O₂S₂
• 分子量: 462.637
• InChiKey: APUNKBCPHFJSFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  95.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  愈创奥 在 吡啶 、 草酰氯 、 硫酸 、 乙酸酐 、 三乙胺 、 N,N-二甲基甲酰胺 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 5.17h， 生成 N-[4-(2-thienylmethyleneamino)phenyl]-5-isopropyl-3,8-dimethylazulene-1-sulfonamide
  参考文献：
  名称：

  Synthesis and antigastric ulcer activity of novel 5-isoproyl-3,8-dimethylazulene derivatives

  摘要：

  5-Isoproyl-3,8-dimethylazulene derivatives were synthesized and evaluated for antigastric ulcer activity in vivo. Some of them possess the best activity against gastric ulcer with ulcer index values lower than the drug reference (omeprazole). The structure-activity relationship (SAR) shows that the lipophilic flat structure contributes to quite potent antigastric ulcer activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.018

文献信息

• Synthesis and antigastric ulcer activity of novel 5-isoproyl-3,8-dimethylazulene derivatives
  作者：Lu-Yun Zhang、Fang Yang、Wan-Qi Shi、Ping Zhang、Ying Li、Shu-Fan Yin

  DOI：10.1016/j.bmcl.2011.08.018

  日期：2011.10

  5-Isoproyl-3,8-dimethylazulene derivatives were synthesized and evaluated for antigastric ulcer activity in vivo. Some of them possess the best activity against gastric ulcer with ulcer index values lower than the drug reference (omeprazole). The structure-activity relationship (SAR) shows that the lipophilic flat structure contributes to quite potent antigastric ulcer activity. (C) 2011 Elsevier Ltd. All rights reserved.