2-isopropyl-5-methylphenyl[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate | 353515-16-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-isopropyl-5-methylphenyl[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
• 英文别名: 2-isopropyl-5-methylphenyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate；(5-methyl-2-propan-2-ylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
• CAS: 353515-16-9
• 化学式: C₂₉H₂₈ClNO₄
• 分子量: 489.999
• InChiKey: QJYHEBAGWILBBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  57.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  百里酚 、 吲哚美辛 在 N,N'-二环己基碳二亚胺 、 4-二甲氨基吡啶 作用下， 以 氯仿 为溶剂， 反应 25.0h， 以40.5%的产率得到2-isopropyl-5-methylphenyl[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
  参考文献：
  名称：

  Design, synthesis, and evaluation of novel indomethacin–antioxidant codrugs as gastrosparing NSAIDs

  摘要：

  Indomethacin has been conjugated with different antioxidants having antiulcerogenic activity with the objective of obtaining indomethacin-antioxidant codrugs as gastrosparing NSAIDs devoid of ulcerogenic side effects. Purified synthesized codrugs have been characterized by m.p., TLC, elemental analyses, FTIR, NMR, MS. The synthesized derivatives have been screened for their antiinflammatory, analgesic, and antiulcer activity. The codrugs showed retention of antiinflammatory activity with reduced ulcerogenic side effects. These results indicated that indomethacin-antioxidant codrugs have the potential to be developed as gastrosparing NSAIDs.Indomethacin has been conjugated with different naturally occurring antioxidants having antiulcerogenic properties with the objective of obtaining indomethacin-antioxidant codrugs as gastrosparing NSAIDs, devoid of ulcerogenic side effects.

  DOI：

  10.1007/s00044-011-9589-1

文献信息

• Design, synthesis, and evaluation of novel indomethacin–antioxidant codrugs as gastrosparing NSAIDs
  作者：Shruti Sawraj、Tilak R. Bhardawaj、Pritam D. Sharma

  DOI：10.1007/s00044-011-9589-1

  日期：2012.6

  Indomethacin has been conjugated with different antioxidants having antiulcerogenic activity with the objective of obtaining indomethacin-antioxidant codrugs as gastrosparing NSAIDs devoid of ulcerogenic side effects. Purified synthesized codrugs have been characterized by m.p., TLC, elemental analyses, FTIR, NMR, MS. The synthesized derivatives have been screened for their antiinflammatory, analgesic, and antiulcer activity. The codrugs showed retention of antiinflammatory activity with reduced ulcerogenic side effects. These results indicated that indomethacin-antioxidant codrugs have the potential to be developed as gastrosparing NSAIDs.Indomethacin has been conjugated with different naturally occurring antioxidants having antiulcerogenic properties with the objective of obtaining indomethacin-antioxidant codrugs as gastrosparing NSAIDs, devoid of ulcerogenic side effects.