Furan-2-carboxylic acid N'-[2-amino-6-(3-hydroxymethyl-phenyl)-pyrimidin-4-yl]-hydrazide | 862168-48-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Furan-2-carboxylic acid N'-[2-amino-6-(3-hydroxymethyl-phenyl)-pyrimidin-4-yl]-hydrazide
• CAS: 862168-48-7
• 化学式: C₁₆H₁₅N₅O₃
• 分子量: 325.327
• InChiKey: VPLUXIMZCXYIHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  126.3
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  Furan-2-carboxylic acid N'-[2-amino-6-(3-hydroxymethyl-phenyl)-pyrimidin-4-yl]-hydrazide 在 氯化亚砜 、 N,O-双三甲硅基乙酰胺 、 potassium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 2-Furan-2-yl-7-{3-[(methyl-phenethyl-amino)-methyl]-phenyl}-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
  参考文献：
  名称：

  2-(2-Furanyl)-7-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-5-amine analogs: Highly potent, orally active, adenosine A2A antagonists. Part 1

  摘要：

  The structure-activity relationship of this novel class of compounds based on 2-(2-furanyl)-7-phenyl[1,2,4]-triazolo[1,5-c]pyrimidin-5-amine, 1, and its analogs was evaluated for their in vitro and in vivo adenosine A(2A) receptor antagonism. Several compounds displayed oral activity at 3 mg/kg in a rat catalepsy model. Specifically, compound 8g displayed an excellent in vitro profile, as well as a highly promising in vivo profile. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.086
• 作为产物：
  描述：

  3-羟甲基苯硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙腈 、 正丁醇 为溶剂， 生成 Furan-2-carboxylic acid N'-[2-amino-6-(3-hydroxymethyl-phenyl)-pyrimidin-4-yl]-hydrazide
  参考文献：
  名称：

  2-(2-Furanyl)-7-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-5-amine analogs: Highly potent, orally active, adenosine A2A antagonists. Part 1

  摘要：

  The structure-activity relationship of this novel class of compounds based on 2-(2-furanyl)-7-phenyl[1,2,4]-triazolo[1,5-c]pyrimidin-5-amine, 1, and its analogs was evaluated for their in vitro and in vivo adenosine A(2A) receptor antagonism. Several compounds displayed oral activity at 3 mg/kg in a rat catalepsy model. Specifically, compound 8g displayed an excellent in vitro profile, as well as a highly promising in vivo profile. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.086