N-Imidazo[1,2-a]pyridin-6-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: N-Imidazo[1,2-a]pyridin-6-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
• 英文别名: N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
• 化学式: C₂₃H₂₄N₆O₂
• 分子量: 416.483
• InChiKey: QARABYRKGZNAQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  91.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(6-Amino-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide 、 溴乙醛 在 potassium acetate 作用下， 以 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-Imidazo[1,2-a]pyridin-6-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
  参考文献：
  名称：

  Azaindoles: moderately basic P1 groups for enhancing the selectivity of thrombin inhibitors

  摘要：

  Starting from a 2-amino-6-methylpyridine PI group and following a strategy of enlarging it whilst reducing its polarity, we have developed a series of potent, moderately basic azaindoles which are intrinsically much more selective for thrombin versus trypsin. Certain pyrazinone acetamide azaindole derivatives have pharmacokinetic parameters after oral administration to dogs, or efficacy in vitro, comparable to an optimized pyrazinone acetamide 2-amino-6-methylpyridine derivative. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00017-9

文献信息

• Azaindoles: moderately basic P1 groups for enhancing the selectivity of thrombin inhibitors
  作者：Philip E.J. Sanderson、Matthew G. Stanton、Bruce D. Dorsey、Terry A. Lyle、Colleen McDonough、William M. Sanders、Kelly L. Savage、Adel M. Naylor-Olsen、Julie A. Krueger、S.Dale Lewis、Bobby J. Lucas、Joseph J. Lynch、Youwei Yan

  DOI：10.1016/s0960-894x(03)00017-9

  日期：2003.3

  Starting from a 2-amino-6-methylpyridine PI group and following a strategy of enlarging it whilst reducing its polarity, we have developed a series of potent, moderately basic azaindoles which are intrinsically much more selective for thrombin versus trypsin. Certain pyrazinone acetamide azaindole derivatives have pharmacokinetic parameters after oral administration to dogs, or efficacy in vitro, comparable to an optimized pyrazinone acetamide 2-amino-6-methylpyridine derivative. (C) 2003 Elsevier Science Ltd. All rights reserved.