1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine | 885470-69-9

• 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-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
• 英文别名: 1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
• CAS: 885470-69-9
• 化学式: C₂₂H₃₂N₈O
• 分子量: 424.549
• InChiKey: GAZBPJSYFHKHNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 N-[5-chloro-1-(2-ethoxy-ethyl)-3-ethyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]-4-methyl-pyridin-2-ylamine 生成 1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
  参考文献：
  名称：

  1-(2-Ethoxyethyl)-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors

  摘要：

  1H-Pyrazolo[4,3-d] pyrimidines are a class of potent and selective second generation phosphodiesterase 5 (PDE5) inhibitors. This work explores the potency, selectivity and efficacy of 1-(2-ethoxyethyl)-1H-pyrazolo[4,5-d] pyrimidines as PDE5 inhibitors resulting in the advancement of a clinical candidate. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.111

文献信息

• 1-(2-Ethoxyethyl)-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors
  作者：Michael B. Tollefson、Brad A. Acker、E.J. Jacobsen、Robert O. Hughes、John K. Walker、David N.A. Fox、Michael J. Palmer、Sandra K. Freeman、Ying Yu、Brian R. Bond

  DOI：10.1016/j.bmcl.2010.03.111

  日期：2010.5

  1H-Pyrazolo[4,3-d] pyrimidines are a class of potent and selective second generation phosphodiesterase 5 (PDE5) inhibitors. This work explores the potency, selectivity and efficacy of 1-(2-ethoxyethyl)-1H-pyrazolo[4,5-d] pyrimidines as PDE5 inhibitors resulting in the advancement of a clinical candidate. (C) 2010 Elsevier Ltd. All rights reserved.