5-(2-Methoxy-ethoxy)-2-piperazin-1-yl-benzonitrile | 862168-56-7

• 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: 5-(2-Methoxy-ethoxy)-2-piperazin-1-yl-benzonitrile
• 英文别名: 5-(2-Methoxyethoxy)-2-(1-piperazinyl)benzonitrile；5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile
• CAS: 862168-56-7
• 化学式: C₁₄H₁₉N₃O₂
• 分子量: 261.324
• InChiKey: YCGXBPDACTUAEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(2-Methoxy-ethoxy)-2-piperazin-1-yl-benzonitrile 、 7-[3-(Chloromethyl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 生成 2-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-benzyl]-piperazin-1-yl}-5-(2-methoxy-ethoxy)-benzonitrile
  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：

  2-溴-5-羟基苯腈 在 palladium diacetate 、 Pd(tBu)3 、 potassium carbonate 、 sodium t-butanolate 作用下， 以 丙酮 、 甲苯 为溶剂， 生成 5-(2-Methoxy-ethoxy)-2-piperazin-1-yl-benzonitrile
  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

文献信息

• USRE44205E1
  申请人：——

  公开号：USRE44205E1

  公开（公告）日：2013-05-07