1-{[1-(6-methoxypyridazine-3-yl)-5-(4-chlorophenyl)-1H-pyrazole-3-yl]carbonyl}-4-(4-methylphenyl)piperazine | 1443777-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-{[1-(6-methoxypyridazine-3-yl)-5-(4-chlorophenyl)-1H-pyrazole-3-yl]carbonyl}-4-(4-methylphenyl)piperazine
• 英文别名: [5-(4-Chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone；[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
• CAS: 1443777-75-0
• 化学式: C₂₆H₂₅ClN₆O₂
• 分子量: 488.977
• InChiKey: ABXVXVMCSNDQIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-1H-pyrazole-3-carboxylic acid 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 1-{[1-(6-methoxypyridazine-3-yl)-5-(4-chlorophenyl)-1H-pyrazole-3-yl]carbonyl}-4-(4-methylphenyl)piperazine
  参考文献：
  名称：

  Pyrazole derivatives as inhibitors of arachidonic acid-induced platelet aggregation

  摘要：

  Antiplatelet drugs are promising therapeutics to intervene with platelet aggregation in arterial thrombosis, most prominently in myocardial infarction and ischemic stroke. Here, we describe the synthesis and structure activity relationships of potent inhibitors of platelet aggregation based on the 1,5-diarylpyrazol-3-carboxamide scaffold. Analogs from this series demonstrated potent anti-aggregatmy activities against arachidonic acid-induced platelet aggregation, as measured by turbidimetric method of Born. 1,5-Diarylpyrazole-3-carboxamides obtained with small-basic amines (7, 8, 50, 51, 61, 62) displayed the strongest activity with IC50 values in low nanomolar range (5.7-83 nM). On the basis of their high potency in cellular environment, these straightforward pyrazole derivatives may possess potential in the design of more potent compounds for intervention with cardiovascular diseases. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.03.048

文献信息

• Pyrazole derivatives as inhibitors of arachidonic acid-induced platelet aggregation
  作者：Serkan Levent、Burcu Çalışkan、Murat Çiftçi、Yeşim Özkan、İdil Yenicesu、Hüseyin Ünver、Erden Banoglu

  DOI：10.1016/j.ejmech.2013.03.048

  日期：2013.6

  Antiplatelet drugs are promising therapeutics to intervene with platelet aggregation in arterial thrombosis, most prominently in myocardial infarction and ischemic stroke. Here, we describe the synthesis and structure activity relationships of potent inhibitors of platelet aggregation based on the 1,5-diarylpyrazol-3-carboxamide scaffold. Analogs from this series demonstrated potent anti-aggregatmy activities against arachidonic acid-induced platelet aggregation, as measured by turbidimetric method of Born. 1,5-Diarylpyrazole-3-carboxamides obtained with small-basic amines (7, 8, 50, 51, 61, 62) displayed the strongest activity with IC50 values in low nanomolar range (5.7-83 nM). On the basis of their high potency in cellular environment, these straightforward pyrazole derivatives may possess potential in the design of more potent compounds for intervention with cardiovascular diseases. (C) 2013 Elsevier Masson SAS. All rights reserved.