N-[1-(4-methylphenyl)ethylideneamino]-5-nitrofuran-2-carboxamide | 1243683-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: N-[1-(4-methylphenyl)ethylideneamino]-5-nitrofuran-2-carboxamide
• CAS: 1243683-16-0
• 化学式: C₁₄H₁₃N₃O₄
• 分子量: 287.275
• InChiKey: JTLUFXYKTQDFKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  97.74
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  5-硝基呋喃-2-甲酰肼 、 对甲基苯乙酮 在 溶剂黄146 作用下， 反应 0.05h， 生成 N-[1-(4-methylphenyl)ethylideneamino]-5-nitrofuran-2-carboxamide
  参考文献：
  名称：

  5-Nitro-2-furoic acid hydrazones: Design, synthesis and in vitro antimycobacterial evaluation against log and starved phase cultures

  摘要：

  Various 5-nitro-2-furoic acid hydrazones were synthesized and evaluated for in vitro activities against log and starved phase culture of two mycobacterial species and Mycobacterium tuberculosis (MTB) isocitrate lyase (ICL) enzyme inhibition studies. Among twenty one compounds, 5-nitro-N'-[(5-nitro-2-furyl) methylidene]-2-furohydrazide (4o) was found to be the most active compound in vitro with MICs of 2.65 and 10.64 mu M against log-and starved-phase culture of MTB. Compound 4o also showed good enzyme inhibition of MTB ICL at 10 mu M. The docking studies also confirmed the binding potential of the compounds at the ICL active site. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.096

文献信息

• 5-Nitro-2-furoic acid hydrazones: Design, synthesis and in vitro antimycobacterial evaluation against log and starved phase cultures
  作者：Dharmarajan Sriram、Perumal Yogeeswari、Devambatla Ravi Kumar Vyas、Palaniappan Senthilkumar、Pritesh Bhat、Madala Srividya

  DOI：10.1016/j.bmcl.2010.06.096

  日期：2010.8

  Various 5-nitro-2-furoic acid hydrazones were synthesized and evaluated for in vitro activities against log and starved phase culture of two mycobacterial species and Mycobacterium tuberculosis (MTB) isocitrate lyase (ICL) enzyme inhibition studies. Among twenty one compounds, 5-nitro-N'-[(5-nitro-2-furyl) methylidene]-2-furohydrazide (4o) was found to be the most active compound in vitro with MICs of 2.65 and 10.64 mu M against log-and starved-phase culture of MTB. Compound 4o also showed good enzyme inhibition of MTB ICL at 10 mu M. The docking studies also confirmed the binding potential of the compounds at the ICL active site. (C) 2010 Elsevier Ltd. All rights reserved.