7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamino)-1-(2-propoxyethyl)pyrazino[2,3-b]pyrazin-2(1H)-one | 1186507-96-9

• 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: 7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamino)-1-(2-propoxyethyl)pyrazino[2,3-b]pyrazin-2(1H)-one
• 英文别名: 6-(6-methoxypyridin-3-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrazino[2,3-b]pyrazin-3-one
• CAS: 1186507-96-9
• 化学式: C₂₃H₃₁N₇O₄
• 分子量: 469.544
• InChiKey: JYRVFYCHUFJOIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  、 2-甲氧基-5-吡啶硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 2.0h， 生成 7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamino)-1-(2-propoxyethyl)pyrazino[2,3-b]pyrazin-2(1H)-one
  参考文献：
  名称：

  Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system

  摘要：

  Efforts to improve the potency and physical properties of the aminopyridiopyrazinone class of PDE5 inhibitors through modi. cation of the core ring system are described. Five new ring systems are evaluated and features that impart improved potency and improved solubility are delineated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.004

文献信息

• Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system
  作者：Robert O. Hughes、John K. Walker、Jerry W. Cubbage、Yvette M. Fobian、D. Joseph Rogier、Steve E. Heasley、Rhadika M. Blevis-Bal、Alan G. Benson、Dafydd R. Owen、E. Jon Jacobsen、John N. Freskos、John M. Molyneaux、David L. Brown、William C. Stallings、Brad A. Acker、Todd M. Maddux、Mike B. Tollefson、Jennifer M. Williams、Joseph B. Moon、Brent V. Mischke、Jeanne M. Rumsey、Yi Zheng、Alan MacInnes、Brian R. Bond、Ying Yu

  DOI：10.1016/j.bmcl.2009.06.004

  日期：2009.8

  Efforts to improve the potency and physical properties of the aminopyridiopyrazinone class of PDE5 inhibitors through modi. cation of the core ring system are described. Five new ring systems are evaluated and features that impart improved potency and improved solubility are delineated. (C) 2009 Elsevier Ltd. All rights reserved.