7-(2-(4-(2,4-Difluorophenyl)piperazin-1-yl)ethylthio)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine | 539822-36-1

• 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: 7-(2-(4-(2,4-Difluorophenyl)piperazin-1-yl)ethylthio)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• 英文别名: 7-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethylsulfanyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• CAS: 539822-36-1
• 化学式: C₂₁H₂₁F₂N₇OS
• 分子量: 457.507
• InChiKey: LYXDJHZUOCYFAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N'-(2-amino-6-((2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)thio)pyrimidin-4-yl)furan-2-carbohydrazide 在 N,O-双三甲硅基乙酰胺 作用下， 生成 7-(2-(4-(2,4-Difluorophenyl)piperazin-1-yl)ethylthio)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
  参考文献：
  名称：

  Potent and selective adenosine A2A receptor antagonists: 1,2,4-Triazolo[1,5-c]pyrimidines

  摘要：

  Antagonism of the adenosine A(2a) receptor offers great promise in the treatment of Parkinson's disease. In the course of exploring pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine A(2A) antagonists, which led to clinical candidate SCH 420814, we prepared 1,2,4-triazolo[1,5-c]pyrimidines with potent and selective (vs A(1)) A(2a) antagonist activity, including oral activity in the rat haloperidol-induced catalepsy model. Structure-activity relationships and plasma levels are described for this series. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.075

文献信息

• Potent and selective adenosine A2A receptor antagonists: 1,2,4-Triazolo[1,5-c]pyrimidines
  作者：Bernard R. Neustadt、Hong Liu、Jinsong Hao、William J. Greenlee、Andrew W. Stamford、Carolyn Foster、Leyla Arik、Jean Lachowicz、Hongtao Zhang、Rosalia Bertorelli、Silva Fredduzzi、Geoffrey Varty、Mary Cohen-Williams、Kwokei Ng

  DOI：10.1016/j.bmcl.2008.11.075

  日期：2009.2

  Antagonism of the adenosine A(2a) receptor offers great promise in the treatment of Parkinson's disease. In the course of exploring pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine A(2A) antagonists, which led to clinical candidate SCH 420814, we prepared 1,2,4-triazolo[1,5-c]pyrimidines with potent and selective (vs A(1)) A(2a) antagonist activity, including oral activity in the rat haloperidol-induced catalepsy model. Structure-activity relationships and plasma levels are described for this series. (C) 2008 Elsevier Ltd. All rights reserved.