5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine | 885471-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
• 英文别名: 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
• CAS: 885471-43-2
• 化学式: C₂₃H₃₄N₈O
• 分子量: 438.576
• InChiKey: HYPYDFGYXJFEHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-[5-chloro-1-(2-ethoxy-ethyl)-3-ethyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]-4-methyl-pyridin-2-ylamine 、 4-氨甲基哌啶 生成 5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine 、 1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl)-N5-(piperidin-4-ylmethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
  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.