N'-[(5-nitrofuran-2-yl)methylene]-1-(phenylamino)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide | 1165475-02-4

• 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'-[(5-nitrofuran-2-yl)methylene]-1-(phenylamino)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
• 英文别名: 1-anilino-5-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]triazole-4-carboxamide
• CAS: 1165475-02-4
• 化学式: C₁₅H₁₃N₇O₄
• 分子量: 355.313
• InChiKey: DAJHCCYATKWPBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  140.48
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  5-methyl-1-(phenylamino)-1H-[1,2,3]-triazole-4-carboxylic acid hydrazide 、 5-硝基糠醛二乙酸酯 在 硫酸 作用下， 以 乙醇 、 水 为溶剂， 反应 2.03h， 以89%的产率得到N'-[(5-nitrofuran-2-yl)methylene]-1-(phenylamino)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
  参考文献：
  名称：

  Synthesis, antiplatelet and in silico evaluations of novel N-substituted-phenylamino-5-methyl-1H-1,2,3-triazole-4-carbohydrazides

  摘要：

  This paper describes the synthesis, antiplatelet and theoretical evaluations of 10 N-substituted-phenylamino-5-methyl-1H-1,2,3-triazole-4-carbohydrazides (2a-j). These compounds were synthesized, characterized and screened for their in vitro antiplatelet pro. le against human platelet aggregation using arachidonic acid, adrenaline and ADP as agonists. Among NAH derivatives 2a-j, the compounds 2a, 2c, 2e, 2g and 2h were the most promising molecules with significant antiplatelet activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.03.053

文献信息

• Synthesis, antiplatelet and in silico evaluations of novel N-substituted-phenylamino-5-methyl-1H-1,2,3-triazole-4-carbohydrazides
  作者：Alessandro K. Jordão、Vitor F. Ferreira、Emerson S. Lima、Maria C.B.V. de Souza、Eduardo C.L. Carlos、Helena C. Castro、Reinaldo B. Geraldo、Carlos R. Rodrigues、Maria C.B. Almeida、Anna C. Cunha

  DOI：10.1016/j.bmc.2009.03.053

  日期：2009.5

  This paper describes the synthesis, antiplatelet and theoretical evaluations of 10 N-substituted-phenylamino-5-methyl-1H-1,2,3-triazole-4-carbohydrazides (2a-j). These compounds were synthesized, characterized and screened for their in vitro antiplatelet pro. le against human platelet aggregation using arachidonic acid, adrenaline and ADP as agonists. Among NAH derivatives 2a-j, the compounds 2a, 2c, 2e, 2g and 2h were the most promising molecules with significant antiplatelet activity. (C) 2009 Elsevier Ltd. All rights reserved.