N'-[2-amino-6-[2-(4-methoxyphenyl)ethylsulfanyl]pyrimidin-4-yl]furan-2-carbohydrazide | 539822-94-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N'-[2-amino-6-[2-(4-methoxyphenyl)ethylsulfanyl]pyrimidin-4-yl]furan-2-carbohydrazide
• CAS: 539822-94-1
• 化学式: C₁₈H₁₉N₅O₃S
• 分子量: 385.447
• InChiKey: GCSUPNYCDFSJMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N'-[2-amino-6-[2-(4-methoxyphenyl)ethylsulfanyl]pyrimidin-4-yl]furan-2-carbohydrazide 在 N,O-双三甲硅基乙酰胺 作用下， 生成 2-(Furan-2-yl)-7-(4-methoxyphenethylthio)-[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
• 作为产物：
  描述：

  2-呋喃甲酰肼 、 4-Chloro-6-[2-(4-methoxyphenyl)ethylsulfanyl]pyrimidin-2-amine 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 N'-[2-amino-6-[2-(4-methoxyphenyl)ethylsulfanyl]pyrimidin-4-yl]furan-2-carbohydrazide
  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