5-(4-isopropylphenyl)-3-(4-(5-(4-isopropylphenyl)-1,4,2-dioxazol-3-yl)phenyl)-1,4,2-dioxazole | 1198783-22-0

• 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: 5-(4-isopropylphenyl)-3-(4-(5-(4-isopropylphenyl)-1,4,2-dioxazol-3-yl)phenyl)-1,4,2-dioxazole
• 英文别名: 5-(4-Propan-2-ylphenyl)-3-[4-[5-(4-propan-2-ylphenyl)-1,4,2-dioxazol-3-yl]phenyl]-1,4,2-dioxazole
• CAS: 1198783-22-0
• 化学式: C₂₈H₂₈N₂O₄
• 分子量: 456.541
• InChiKey: VHEZHJKMSZJHEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  terephthalaldehyde oxime 、 4-异丙基苯甲醛 在 sodium hypochlorite 、 三乙胺 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 49.0h， 以23%的产率得到5-(4-isopropylphenyl)-3-(4-(5-(4-isopropylphenyl)-1,4,2-dioxazol-3-yl)phenyl)-1,4,2-dioxazole
  参考文献：
  名称：

  Synthesis, characterization, antiamoebic activity and toxicity of novel bisdioxazole derivatives

  摘要：

  Cyclization of benzene-1,4-dicarbaldehyde dioxime 1 with different aromatic aldehydes in inert atmosphere yielded the corresponding new bisdioxazoles 2-11. The structure of 2-11 was elucidated by spectral data. In vitro antiamoebic activity was performed against HM1:IMSS strain of Entamoeba histolytica. The results showed that the compounds 3 (IC50 = 1.22 mu M), 4 (IC50 = 1.41 mu M), 7 (IC50 = 1.05 mu M) and 10 (IC50 = 1.01 mu M) exhibited better antiamoebic activity than the standard drug metronidazole (IC50 = 1.80 mu M). The compounds 3, 4, 7 and 10 were tested for toxicity by MTT assay on H9c2 cardiac myoblasts and the results showed that the compounds 3, 4, 7 and 10 offered remarkable viability of 96.2%, 83.5%, 82% and 89%, respectively at a concentration of 12.5 mu g/ml. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.06.016

文献信息

• Synthesis, characterization, antiamoebic activity and toxicity of novel bisdioxazole derivatives
  作者：Prince Firdoos Iqbal、Humaira Parveen、Abdul Roouf Bhat、Faisal Hayat、Amir Azam

  DOI：10.1016/j.ejmech.2009.06.016

  日期：2009.11

  Cyclization of benzene-1,4-dicarbaldehyde dioxime 1 with different aromatic aldehydes in inert atmosphere yielded the corresponding new bisdioxazoles 2-11. The structure of 2-11 was elucidated by spectral data. In vitro antiamoebic activity was performed against HM1:IMSS strain of Entamoeba histolytica. The results showed that the compounds 3 (IC50 = 1.22 mu M), 4 (IC50 = 1.41 mu M), 7 (IC50 = 1.05 mu M) and 10 (IC50 = 1.01 mu M) exhibited better antiamoebic activity than the standard drug metronidazole (IC50 = 1.80 mu M). The compounds 3, 4, 7 and 10 were tested for toxicity by MTT assay on H9c2 cardiac myoblasts and the results showed that the compounds 3, 4, 7 and 10 offered remarkable viability of 96.2%, 83.5%, 82% and 89%, respectively at a concentration of 12.5 mu g/ml. (C) 2009 Elsevier Masson SAS. All rights reserved.