1-(4-Amino-6,7-dimethoxy-2-quinazolyl)-4-(1-methyl-3-pyrazolylcarbonyl)piperazine

• 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: 1-(4-Amino-6,7-dimethoxy-2-quinazolyl)-4-(1-methyl-3-pyrazolylcarbonyl)piperazine
• 英文别名: [4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
• 化学式: C₁₉H₂₃N₇O₃
• 分子量: 397.437
• InChiKey: STNGKOXNRSJOHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-甲基吡唑-3-甲酸 在 氯化亚砜 、 potassium hydrogencarbonate 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 5.0h， 生成 1-(4-Amino-6,7-dimethoxy-2-quinazolyl)-4-(1-methyl-3-pyrazolylcarbonyl)piperazine
  参考文献：
  名称：

  Pyrazole analogues of prazosin

  摘要：

  A series of analogues of prazosin, in which 1-methyl or 1-phenylpyrazole moieties were substituted for the furan ring, were synthesized and studied for their alpha(1)-adrenoceptor antagonist activity. The role of the five member heterocyclic substructures in determining the affinity for the alpha(1)-receptor is briefly discussed. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00052-4

文献信息

• Pyrazole analogues of prazosin
  作者：Giuseppe Ermondi、Donatella Boschi、Antonella Di Stilo、Carla Tironi、Alberto Gasco

  DOI：10.1016/s0014-827x(98)00052-4

  日期：1998.7

  A series of analogues of prazosin, in which 1-methyl or 1-phenylpyrazole moieties were substituted for the furan ring, were synthesized and studied for their alpha(1)-adrenoceptor antagonist activity. The role of the five member heterocyclic substructures in determining the affinity for the alpha(1)-receptor is briefly discussed. (C) 1998 Elsevier Science S.A. All rights reserved.