1-[3-[4-(Dimethylamino)phenyl]-5-(5-hydroxy-1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone | 1222552-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-[3-[4-(Dimethylamino)phenyl]-5-(5-hydroxy-1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone
• 英文别名: 1-[3-[4-(dimethylamino)phenyl]-5-(5-hydroxy-1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone
• CAS: 1222552-67-1
• 化学式: C₃₅H₂₈N₆O₃
• 分子量: 580.646
• InChiKey: ZLCUISAOGBKBPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  44
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,5-二羟基苯甲醛 在 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 40.0h， 生成 1-[3-[4-(Dimethylamino)phenyl]-5-(5-hydroxy-1-benzofuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-indolo[3,2-b]quinoxalin-6-ylethanone
  参考文献：
  名称：

  Potent in vitro and in vivo antitubercular activity of certain newly synthesized indophenazine 1,3,5-trisubstituted pyrazoline derivatives bearing benzofuran

  摘要：

  Fourteen newly synthesized derivatives of indophenazine 1,3,5-trisubstituted pyrazoline bearing benzofuran were prepared from benzofuran chalcones with indophenazine hydrazide through cycloaddition reaction. All the compounds were screened for their in vitro and in vivo antitubercular activity against drug resistant and multidrug-resistant Mycobacterium tuberculosis H37RV. The MIC50 and MIC90 were estimated and compared with rifampicin and gatifloxacin standard drugs. Nitro group containing at ortho 5j, meta 5e, furan ring containing 5m and ortho 5i, para 5h chloro containing compounds were exhibited significant in vitro, in vivo antitubercular activity against standard drugs.

  DOI：

  10.1007/s00044-010-9322-5

文献信息

• Potent in vitro and in vivo antitubercular activity of certain newly synthesized indophenazine 1,3,5-trisubstituted pyrazoline derivatives bearing benzofuran
  作者：Kuntal Manna、Yadvendra K. Agrawal

  DOI：10.1007/s00044-010-9322-5

  日期：2011.4

  Fourteen newly synthesized derivatives of indophenazine 1,3,5-trisubstituted pyrazoline bearing benzofuran were prepared from benzofuran chalcones with indophenazine hydrazide through cycloaddition reaction. All the compounds were screened for their in vitro and in vivo antitubercular activity against drug resistant and multidrug-resistant Mycobacterium tuberculosis H37RV. The MIC50 and MIC90 were estimated and compared with rifampicin and gatifloxacin standard drugs. Nitro group containing at ortho 5j, meta 5e, furan ring containing 5m and ortho 5i, para 5h chloro containing compounds were exhibited significant in vitro, in vivo antitubercular activity against standard drugs.