(4-(4-chlorophenyl)-5-(4-methoxyphenyl)isoxazol-3-yl)(piperidin-1-yl)methanone | 1443778-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (4-(4-chlorophenyl)-5-(4-methoxyphenyl)isoxazol-3-yl)(piperidin-1-yl)methanone
• 英文别名: [4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone；[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
• CAS: 1443778-05-9
• 化学式: C₂₂H₂₁ClN₂O₃
• 分子量: 396.873
• InChiKey: HIGGKCNPIDXROS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙基4-(4-甲氧基苯基)-2,4-二氧代丁酸酯 在 4-二甲氨基吡啶 、 N-溴代丁二酰亚胺(NBS) 、 ammonium cerium (IV) nitrate 、 盐酸羟胺 、 水 、 碳酸氢钠 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 7.17h， 生成 (4-(4-chlorophenyl)-5-(4-methoxyphenyl)isoxazol-3-yl)(piperidin-1-yl)methanone
  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