| 1313761-88-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• CAS: 1313761-88-4
• 化学式: C₁₇H₁₂N₂O₅
• 分子量: 324.293
• InChiKey: XMQJAXXLWJSFGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  112.13
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  香豆素-3-羧酸乙酯 在 肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Antitubercular Activity of New Coumarins

  摘要：

  The present article describes a series of 21 N ′‐benzylidene‐2‐oxo‐2H‐chromene‐3‐carbohydrazides 4a–4v, which were synthesized and evaluated for their cell viabilities in non‐infected and Mycobacterium bovis Bacillus Calmette–Guerin‐infected macrophages. Subsequently, the non‐cytotoxic compounds 4c, 4g, 4h, 4j, 4l and 4t were assessed against Mycobacterium tuberculosis ATCC 27294 using the microplate Alamar Blue assay and the activity expressed as the minimum inhibitory concentration in μg/mL. These compounds exhibited a significant activity (50–100 μg/mL) when compared to the first‐line drugs, such as pyrazinamide (PZA >100 μg/mL). These results could be considered a good starting point for further studies to develop new lead compounds to treat multidrug‐resistant tuberculosis.

  DOI：

  10.1111/j.1747-0285.2011.01120.x

文献信息

• Antitubercular Activity of New Coumarins
  作者：Silvia H. Cardoso、Milena B. Barreto、Maria C. S. Lourenço、Maria das Graças M. de O. Henriques、André L. P. Candéa、Carlos R. Kaiser、Marcus V. N. de Souza

  DOI：10.1111/j.1747-0285.2011.01120.x

  日期：2011.6

  The present article describes a series of 21 N ′‐benzylidene‐2‐oxo‐2H‐chromene‐3‐carbohydrazides 4a–4v, which were synthesized and evaluated for their cell viabilities in non‐infected and Mycobacterium bovis Bacillus Calmette–Guerin‐infected macrophages. Subsequently, the non‐cytotoxic compounds 4c, 4g, 4h, 4j, 4l and 4t were assessed against Mycobacterium tuberculosis ATCC 27294 using the microplate Alamar Blue assay and the activity expressed as the minimum inhibitory concentration in μg/mL. These compounds exhibited a significant activity (50–100 μg/mL) when compared to the first‐line drugs, such as pyrazinamide (PZA >100 μg/mL). These results could be considered a good starting point for further studies to develop new lead compounds to treat multidrug‐resistant tuberculosis.