2-<4-<(3-aminopropyl)carbamoyl>-5-(trifluoromethyl)pyrazol-1-yl>-4-<3-(trifluoromethyl)phenyl>thiazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-<4-<(3-aminopropyl)carbamoyl>-5-(trifluoromethyl)pyrazol-1-yl>-4-<3-(trifluoromethyl)phenyl>thiazole
• 英文别名: 2-[4-[3-Aminopropylcarbamoyl]-5-(trifluoromethyl)-pyrazol-1-yl]-4-(3-trifluoromethylphenyl) thiazole；2-[4-[3-Aminopropylcarbamoyl]-5-(trifluoromethyl)-pyrazol-1-yl]-4-(3-trifluoromethylphenyl)-thiazole；5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-amino-propyl)-amide; hydrochloride；N-(3-aminopropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
• 化学式: C₁₈H₁₅F₆N₅OS
• 分子量: 463.406
• InChiKey: WQOLAFVZLZRKGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-<4-<(3-aminopropyl)carbamoyl>-5-(trifluoromethyl)pyrazol-1-yl>-4-<3-(trifluoromethyl)phenyl>thiazole 以73%的产率得到
  参考文献：
  名称：

  Sanfilippo Pauline J., Urbanski Maud J., Beers Kimberly N., Eckardt Annet+, J. Med. Chem, 38 (1995) N 1, S 34-41

  摘要：

  DOI：
• 作为产物：
  描述：

  间三氟甲基苯乙酮 在 氢氧化钾 、 溴 、 N,N'-羰基二咪唑 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 12.5h， 生成 2-<4-<(3-aminopropyl)carbamoyl>-5-(trifluoromethyl)pyrazol-1-yl>-4-<3-(trifluoromethyl)phenyl>thiazole
  参考文献：
  名称：

  Novel Thiazole-Based Heterocycles as Selective Inhibitors of Fibrinogen-Mediated Platelet Aggregation

  摘要：

  The synthesis and biological activity of novel thiazole-based heterocycles as inhibitors of thrombin-induced human platelet aggregation are described. Further evaluation of selected compounds show they inhibit platelet aggregation as stimulated by a variety of agonists. The more active compounds also were found to inhibit fibrinogen binding to platelets. To further delineate the mechanism of action of these compounds, direct binding studies with the purified glycoprotein (GP) IIb/IIIa receptor were performed. Flow cytometry analyses of 24 and 32 indicate that these compounds block the activation process of the GPIIb/IIIa receptor without denaturing the integrin receptor. On the basis of these studies, 32 exhibited the best profile as a novel nonpeptide inhibitor of fibrinogen-mediated platelet aggregation.

  DOI：

  10.1021/jm00001a008

文献信息

• US5342851A
  申请人：——

  公开号：US5342851A

  公开（公告）日：1994-08-30