N-(2,6-dimethylphenyl)-6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide | 1333385-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(2,6-dimethylphenyl)-6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
• 英文别名: N-(2,6-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
• CAS: 1333385-57-1
• 化学式: C₂₆H₂₆N₄O₃
• 分子量: 442.517
• InChiKey: GEHMVLFTYSTJHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  76
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5,6-二甲氧基茚酮 在 溶剂黄146 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 N-(2,6-dimethylphenyl)-6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
  参考文献：
  名称：

  Discovery of novel antitubercular 3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide/carbothioamide analogues

  摘要：

  In the present investigation, a series of 3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide/carbothioamide analogues were synthesized and were evaluated for antitubercular activity by two fold serial dilution technique. All the newly synthesized compounds showed low to high inhibitory activities against Mycobacterium tuberculosis H(37)Rv and INH resistant M. tuberculosis. The compound 3-(4-fluorophenyl)-6,7-dimethoxy-3a, 4-dihydro-3H-indeno[1,2-c]pyrazole-2-carbothioamide (4o) was found to be the most promising compound active against M. tuberculosis H(37)Rv and isoniazid resistant M. tuberculosis with minimum inhibitory concentration 3.12 mu M and 6.25 mu M, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.035

文献信息

• Discovery of novel antitubercular 3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide/carbothioamide analogues
  作者：Mohamed Jawed Ahsan、Jeyabalan Govinda Samy、Savita Soni、Naresh Jain、Lalit Kumar、Lalit K. Sharma、Hemant Yadav、Lokesh Saini、Rajput Gopal Kalyansing、Narendra S. Devenda、Ravindra Prasad、Chandra Bhushan Jain

  DOI：10.1016/j.bmcl.2011.07.035

  日期：2011.9

  In the present investigation, a series of 3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide/carbothioamide analogues were synthesized and were evaluated for antitubercular activity by two fold serial dilution technique. All the newly synthesized compounds showed low to high inhibitory activities against Mycobacterium tuberculosis H(37)Rv and INH resistant M. tuberculosis. The compound 3-(4-fluorophenyl)-6,7-dimethoxy-3a, 4-dihydro-3H-indeno[1,2-c]pyrazole-2-carbothioamide (4o) was found to be the most promising compound active against M. tuberculosis H(37)Rv and isoniazid resistant M. tuberculosis with minimum inhibitory concentration 3.12 mu M and 6.25 mu M, respectively. (C) 2011 Elsevier Ltd. All rights reserved.