4-acetyl-3,5-dimethyl-N'-(4-methylbenzylidene)-1H-pyrrole-2-carbohydrazide | 1331970-32-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4-acetyl-3,5-dimethyl-N'-(4-methylbenzylidene)-1H-pyrrole-2-carbohydrazide
• 英文别名: 4-acetyl-3,5-dimethyl-N-[(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
• CAS: 1331970-32-1
• 化学式: C₁₇H₁₉N₃O₂
• 分子量: 297.357
• InChiKey: DOWBEDCSRVOFSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  74.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-乙酰基-2,4-二甲基-5-乙氧羰基吡咯 在 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 4-acetyl-3,5-dimethyl-N'-(4-methylbenzylidene)-1H-pyrrole-2-carbohydrazide
  参考文献：
  名称：

  Diversity oriented design of various hydrazides and their in vitro evaluation against Mycobacterium tuberculosis H37Rv strains

  摘要：

  Control and prevention of tuberculosis is a major challenge, as one-third of the world's population is infected with Mycobacterium tuberculosis. The resurgence of tuberculosis and the emergence of multidrug-resistance strains of mycobacteria, necessitate the search for new class of antimycobacterial agents. As a part of investigation of new antitubercular agents in this laboratory, we describe the syntheses of various hydrazides of comarins, quinolones and pyrroles and screening against M. tuberculosis (Mtb) H37(Rv) by using rifampin as a standard drug. Among the designed molecules, the most prominent compounds 2a-g, 4a and 9a showed > 90% GI at MIC < 6.25 mu g/mL. Finally, these studies suggests that compounds 2a-g, 4a and 9a may serve as promising lead scaffolds for further generation of new anti-TB agents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.074