7-溴-4-氯咪唑[2,1-f][1,2,4]三嗪 | 1235374-46-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 7-溴-4-氯咪唑[2,1-f][1,2,4]三嗪
• 英文名称: 7-Bromo-4-chloroimidazo[2,1-f][1,2,4]triazine
• 英文别名: 7-bromo-4-chloroimidazo[2,1-f][1,2,4]triazine
• CAS: 1235374-46-5
• 化学式: C₅H₂BrClN₄
• 分子量: 233.455
• InChiKey: RRXLWAFFBIFFKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-溴-4-氯咪唑[2,1-f][1,2,4]三嗪 在 氨 作用下， 以 异丙醇 为溶剂， 反应 16.0h， 生成 7-溴咪唑并[2,1-f][1,2,4]三嗪-4-胺
  参考文献：
  名称：

  Synthesis and Biochemical Testing of 3-(Carboxyphenylethyl)imidazo[2,1-f][1,2,4]triazines as Inhibitors of AMP Deaminase

  摘要：

  C-Ribosyl imidazo[2,1-f][1,2,4]triazines and 3-[2-(3-carboxypheny1)ethyl]-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ols represent two classes of known AMP deaminase inhibitors. A combination of the aglycone from the former class with the ribose phosphate mimic from the latter led to the 3-[2-(3-carboxyphenyl)ethyl]imidazo[2, 1-f][1,2,4]triazines, which represent a new class of AMP deaminase inhibitors. The best compound, 3-[2-(3-carboxy-5.6,7,8-tetrahydronaphthyl)ethyl]imidazo[2,1,2,4]triazine (8), was a good inhibitor of all three human AMPD recombinant isozymes (AMPD1, AMPD2, and AMPD3;IC50 = 0.9-5.7 mu M) but a poor inhibitor of the plant recombinant enzyme (Arabidopsis FAC1; IC50 = 200 mu M).

  DOI：

  10.1021/ml100092a
• 作为产物：
  描述：

  7-溴-3H,4H-咪唑并[2,1-f][1,2,4]三嗪-4-酮 在 N,N-二甲基苯胺 、 三氯氧磷 作用下， 反应 4.0h， 生成 7-溴-4-氯咪唑[2,1-f][1,2,4]三嗪
  参考文献：
  名称：

  Synthesis and Biochemical Testing of 3-(Carboxyphenylethyl)imidazo[2,1-f][1,2,4]triazines as Inhibitors of AMP Deaminase

  摘要：

  C-Ribosyl imidazo[2,1-f][1,2,4]triazines and 3-[2-(3-carboxypheny1)ethyl]-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ols represent two classes of known AMP deaminase inhibitors. A combination of the aglycone from the former class with the ribose phosphate mimic from the latter led to the 3-[2-(3-carboxyphenyl)ethyl]imidazo[2, 1-f][1,2,4]triazines, which represent a new class of AMP deaminase inhibitors. The best compound, 3-[2-(3-carboxy-5.6,7,8-tetrahydronaphthyl)ethyl]imidazo[2,1,2,4]triazine (8), was a good inhibitor of all three human AMPD recombinant isozymes (AMPD1, AMPD2, and AMPD3;IC50 = 0.9-5.7 mu M) but a poor inhibitor of the plant recombinant enzyme (Arabidopsis FAC1; IC50 = 200 mu M).

  DOI：

  10.1021/ml100092a

文献信息

• Synthesis and Biochemical Testing of 3-(Carboxyphenylethyl)imidazo[2,1-<i>f</i>][1,2,4]triazines as Inhibitors of AMP Deaminase
  作者：Stephen D. Lindell、Simon Maechling、Richard L. Sabina

  DOI：10.1021/ml100092a

  日期：2010.9.9

  C-Ribosyl imidazo[2,1-f][1,2,4]triazines and 3-[2-(3-carboxypheny1)ethyl]-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ols represent two classes of known AMP deaminase inhibitors. A combination of the aglycone from the former class with the ribose phosphate mimic from the latter led to the 3-[2-(3-carboxyphenyl)ethyl]imidazo[2, 1-f][1,2,4]triazines, which represent a new class of AMP deaminase inhibitors. The best compound, 3-[2-(3-carboxy-5.6,7,8-tetrahydronaphthyl)ethyl]imidazo[2,1,2,4]triazine (8), was a good inhibitor of all three human AMPD recombinant isozymes (AMPD1, AMPD2, and AMPD3;IC50 = 0.9-5.7 mu M) but a poor inhibitor of the plant recombinant enzyme (Arabidopsis FAC1; IC50 = 200 mu M).