tert-butyl 2-(5-amino-2-methyl-6-oxopyrimidin-1(6H)-yl)acetate | 179524-43-7

• 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: tert-butyl 2-(5-amino-2-methyl-6-oxopyrimidin-1(6H)-yl)acetate
• 英文别名: t-butyl 2-methyl-5-amino-6-oxo-1,6-dihydro-1-pyrimidinylacetate；Tert-butyl 2-(5-amino-2-methyl-6-oxopyrimidin-1-yl)acetate
• CAS: 179524-43-7
• 化学式: C₁₁H₁₇N₃O₃
• 分子量: 239.274
• InChiKey: BTRDJUQAAQRHSW-UHFFFAOYSA-N

物化性质

• 沸点：
  342.5±52.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  85
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(5-amino-2-methyl-6-oxopyrimidin-1(6H)-yl)acetate 在 N-甲基吗啉 、 potassium carbonate 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 2-(2-methyl-6-oxo-5-((phenylmethyl)sulfonamido)pyrimidin-1(6H)-yl)acetic acid
  参考文献：
  名称：

  Design and synthesis of a novel class of thrombin inhibitors incorporating heterocyclic dipeptide surrogates

  摘要：

  Several potent and selective inhibitors of thrombin incorporating novel heterocyclic peptide surrogates in the P-3-P-2 position of peptidyl argininals have been discovered. Illustrated in this article are three classes of heterocycles: pyridones, uracils, and pyrimidinones. The synthesis and biological activities of these unique aromatic heterocyclic derivatives are reported herein. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00258-8
• 作为产物：
  描述：

  2-甲基-6-羟基嘧啶甲酸乙酯 在 palladium on activated charcoal lithium hydroxide 、 二苯基磷酸 、 四丁基氟化铵 、 氢气 、 三乙胺 作用下， 以 乙二醇二甲醚 、 乙醇 为溶剂， 生成 tert-butyl 2-(5-amino-2-methyl-6-oxopyrimidin-1(6H)-yl)acetate
  参考文献：
  名称：

  Design and synthesis of a novel class of thrombin inhibitors incorporating heterocyclic dipeptide surrogates

  摘要：

  Several potent and selective inhibitors of thrombin incorporating novel heterocyclic peptide surrogates in the P-3-P-2 position of peptidyl argininals have been discovered. Illustrated in this article are three classes of heterocycles: pyridones, uracils, and pyrimidinones. The synthesis and biological activities of these unique aromatic heterocyclic derivatives are reported herein. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00258-8

文献信息

• Aromatic heterocyclic derivatives as enzyme inhibitors
  申请人：Corvas International, Inc.

  公开号：US06342504B1

  公开（公告）日：2002-01-29

  The present invention discloses peptide aldehydes which are potent and specific inhibitors of thrombin, their pharmaceutically acceptable salts, pharmaceutically acceptable compositions thereof, and methods of using them as therapeutic agents for disease states in mammals characterized by abnormal thrombosis.

  本发明公开了肽醛，它们是凝血酶的强效和特异性抑制剂，其药用可接受的盐，药用可接受的组合物以及使用它们作为治疗哺乳动物病态血栓形成的方法。
• Aromatic hetherocyclic derivatives as enzyme inhibitors
  申请人：Corvas International, Inc.

  公开号：US06008351A1

  公开（公告）日：1999-12-28

  The present invention discloses peptide aldehydes which are potent and specific inhibitors of thrombin, their pharmaceutically acceptable salts, pharmaceutically acceptable compositions thereof, and methods of using them as therapeutic agents for disease states in mammals characterized by abnormal thrombosis.

  本发明公开了肽醛，它们是强效且特异的凝血酶抑制剂，其药用盐、药用组合物以及将它们用作治疗哺乳动物中由异常血栓形成特征的疾病状态的方法。
• AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS
  申请人：CORVAS INTERNATIONAL, INC.

  公开号：EP0804464B1

  公开（公告）日：2002-05-08
• US5658930A
  申请人：——

  公开号：US5658930A

  公开（公告）日：1997-08-19
• US5656645A
  申请人：——

  公开号：US5656645A

  公开（公告）日：1997-08-12