[3-(2-Pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetic acid | 199296-55-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [3-(2-Pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetic acid
• 英文别名: 3-[2-(2-pyridyl)ethylamino]-6-methyl-1-carboxymethylpyrazinone；2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
• CAS: 199296-55-4
• 化学式: C₁₄H₁₆N₄O₃
• 分子量: 288.306
• InChiKey: RGHVRYMGGBKWFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  94.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,5-二氯苄胺 、 [3-(2-Pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetic acid 生成 N-(2,5-dichlorobenzyl)-2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide
  参考文献：
  名称：

  Pyrazinone thrombin inhibitors

  摘要：

  该发明的化合物在抑制凝血酶和相关血栓闭塞方面具有以下结构：##STR1## 例如：##STR2##

  公开号：

  US05866573A1

文献信息

• Pyrazinone thrombin inhibitors
  申请人：Merck & Co., Inc.

  公开号：US05866573A1

  公开（公告）日：1999-02-02

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: ##STR1## for example: ##STR2##

  该发明的化合物在抑制凝血酶和相关血栓闭塞方面具有以下结构：##STR1## 例如：##STR2##
• Thrombin inhibitors
  申请人：——

  公开号：US20020006923A1

  公开（公告）日：2002-01-17

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions and are selected from the group consisting of: 1 or a pharmaceutically acceptable salt thereof, wherein T is selected from the group consisting of 2 D, E, F, G, H, I, and J are independently N or CY 1 , provided that the number of such variables D, E, F, G, H, I, and J representing N is 0, 1, or 2; K, L, M and Q are independently NH or CY 1 Y 2 , provided that the number of such variables D, E, F, K, L, M, and Q representing N is 0, 1, or 2; Y 1 and Y 2 are independently selected from the group consisting of hydrogen, C 1-4 alkyl, halogen, anino, or hydroxy; A is 3

  发明中的化合物在抑制凝血酶和相关血栓闭塞方面很有用，选择自以下组合的一种：1或其药用盐，其中T选自D、E、F、G、H、I和J的组合，这些变量D、E、F、G、H、I和J代表N的数量为0、1或2；K、L、M和Q独立地为NH或CY1Y2，这些变量D、E、F、K、L、M和Q代表N的数量为0、1或2；Y1和Y2独立地选自氢、C1-4烷基、卤素、氨基或羟基的组合；A为3。
• 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.
• US5866573A
  申请人：——

  公开号：US5866573A

  公开（公告）日：1999-02-02
• US6462050B1
  申请人：——

  公开号：US6462050B1

  公开（公告）日：2002-10-08