2-(2-tert-butylphenoxy)-N-(1-methyl-5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine | 901303-93-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2-tert-butylphenoxy)-N-(1-methyl-5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine
• 英文别名: 2-(2-(Tert-butyl)phenoxy)-N-(1-methyl-5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine；2-(2-tert-butylphenoxy)-N-(1-methyl-5-phenylpyrazol-3-yl)pyridin-3-amine
• CAS: 901303-93-3
• 化学式: C₂₅H₂₆N₄O
• 分子量: 398.508
• InChiKey: KLXWFRDIQNBUAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(2-tert-butyl-phenoxy)-3-isothiocyanato-pyridine 在 溶剂黄146 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 2-(2-tert-butylphenoxy)-N-(1-methyl-5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine 、 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)pyridin-3-amine
  参考文献：
  名称：

  New azole antagonists with high affinity for the P2Y1 receptor

  摘要：

  Five-membered-ring heterocyclic urea mimics have been found to be potent and selective antagonists of the P2Y(1) receptor. SAR of the various heterocyclic replacements is presented, as well as side-chain SAR of the more potent thiadiazole ring system which leads to thiadiazole 4c as a new antiplatelet agent. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.04.041

文献信息

• Heteroaryl compounds as P2Y1 receptor inhibitors
  申请人：Sutton C. James

  公开号：US20060173002A1

  公开（公告）日：2006-08-03

  The present invention provides novel heteroaryl compounds and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了新颖的杂环芳基化合物及其类似物，这些化合物是人类P2Y1受体的选择性抑制剂。该发明还提供了相应的各种药物组合物以及调节P2Y1受体活性治疗对其敏感的疾病的方法。
• HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS
  申请人：Sutton James C.

  公开号：US20100093689A1

  公开（公告）日：2010-04-15

  The present invention provides novel heteroaryl compounds and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了新型杂环芳基化合物及其类似物，它们是选择性抑制人类P2Y1受体的药物。本发明还提供了各种该药物的制剂和调节P2Y1受体活性治疗疾病的方法。
• 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1954696B1

  公开（公告）日：2011-02-23
• US7645778B2
  申请人：——

  公开号：US7645778B2

  公开（公告）日：2010-01-12
• US8273772B2
  申请人：——

  公开号：US8273772B2

  公开（公告）日：2012-09-25