ethyl (3-amino-6-methyl-2-oxo-1,2-dihydropyridyl)acetate | 179524-69-7

• 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: ethyl (3-amino-6-methyl-2-oxo-1,2-dihydropyridyl)acetate
• 英文别名: ethyl 2-(3-amino-6-methyl-2-oxopyridin-1-yl)acetate
• CAS: 179524-69-7
• 化学式: C₁₀H₁₄N₂O₃
• 分子量: 210.233
• InChiKey: AVWWOQOISAEBEA-UHFFFAOYSA-N

物化性质

• 沸点：
  383.6±42.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl (3-amino-6-methyl-2-oxo-1,2-dihydropyridyl)acetate 在 lithium hydroxide 、 molecular sieve 、 DCE 、 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 生成 {6-Methyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyridin-1-yl}-acetic acid
  参考文献：
  名称：

  Non-Peptide αvβ3 antagonists. Part 6: Design and synthesis of αvβ3 antagonists containing a pyridone or pyrazinone central scaffold

  摘要：

  Two novel series of small-molecule RGD mimetics containing either a substituted pyridone or pyrazinone central constraint were prepared. Modification of the P-alanine 3-substituent produced compounds that are potent and selective alpha(v)beta(3) antagonists and exhibit a range of physicochemical properties. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00254-3
• 作为产物：
  描述：

  ethyl (3-benzyloxycarbonylamino-6-methyl-2-oxo-1,2-dihydro-1-pyridyl)acetate 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 ethyl (3-amino-6-methyl-2-oxo-1,2-dihydropyridyl)acetate
  参考文献：
  名称：

  Aromatic heterocyclic derivatives as enzyme inhibitors

  摘要：

  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。

  公开号：

  US06342504B1

文献信息

• 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：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。
• Non-Peptide αvβ3 antagonists. Part 6: Design and synthesis of αvβ3 antagonists containing a pyridone or pyrazinone central scaffold
  作者：Michael J Breslin、Mark E Duggan、Wasyl Halczenko、Carmen Fernandez-Metzler、Cecilia A Hunt、Chih-Tai Leu、Kara M Merkle、Adel M Naylor-Olsen、Thomayant Prueksaritanont、Gary Stump、Audrey Wallace、Sevgi B Rodan、John H Hutchinson

  DOI：10.1016/s0960-894x(03)00254-3

  日期：2003.5

  Two novel series of small-molecule RGD mimetics containing either a substituted pyridone or pyrazinone central constraint were prepared. Modification of the P-alanine 3-substituent produced compounds that are potent and selective alpha(v)beta(3) antagonists and exhibit a range of physicochemical properties. (C) 2003 Elsevier Science Ltd. All rights reserved.