N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine | 901305-43-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
• CAS: 901305-43-9
• 化学式: C₂₆H₂₄F₃N₃O₂S
• 分子量: 499.557
• InChiKey: DQXSVPMAUKCEDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  84.5
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-(2-叔丁基苯氧基)吡啶-3-胺 在 2,6-二甲基吡啶 、 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 sodium carbonate 、 溶剂黄146 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 28.0h， 生成 N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
  参考文献：
  名称：

  2-Aminothiazole based P2Y1 antagonists as novel antiplatelet agents

  摘要：

  ADP receptors, P2Y(1) and P2Y(12) have been recognized as potential targets for antithrombotic drugs. A series of P2Y(1) antagonists that contain 2-aminothiazoles as urea surrogates were discovered. Extensive SAR of the thiazole ring is described. The most potent compound 7j showed good P2Y(1) binding (K-i = 12 nM), moderate antagonism of platelet aggregation (PA IC50 = 5.2 mu M) and acceptable PK in rats. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.025

文献信息

• 2-Aminothiazole based P2Y1 antagonists as novel antiplatelet agents
  作者：Zulan Pi、James Sutton、John Lloyd、Ji Hua、Laura Price、Qimin Wu、Ming Chang、Joanna Zheng、Robert Rehfuss、Christine S. Huang、Ruth R. Wexler、Patrick Y.S. Lam

  DOI：10.1016/j.bmcl.2013.05.025

  日期：2013.7

  ADP receptors, P2Y(1) and P2Y(12) have been recognized as potential targets for antithrombotic drugs. A series of P2Y(1) antagonists that contain 2-aminothiazoles as urea surrogates were discovered. Extensive SAR of the thiazole ring is described. The most potent compound 7j showed good P2Y(1) binding (K-i = 12 nM), moderate antagonism of platelet aggregation (PA IC50 = 5.2 mu M) and acceptable PK in rats. (C) 2013 Elsevier Ltd. All rights reserved.