2-(3-amino-2-oxo-1-pyridyl)ethanoic acid methyl ester | 175210-67-0

• 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: 2-(3-amino-2-oxo-1-pyridyl)ethanoic acid methyl ester
• 英文别名: Methyl (3-amino-2-oxopyridin-1(2H)-yl)acetate；methyl 2-(3-amino-2-oxopyridin-1-yl)acetate
• CAS: 175210-67-0
• 化学式: C₈H₁₀N₂O₃
• 分子量: 182.179
• InChiKey: AVTCVMQZWVXNJF-UHFFFAOYSA-N

物化性质

• 沸点：
  371.7±42.0 °C(Predicted)
• 密度：
  1.267±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  2-(3-amino-2-oxo-1-pyridyl)ethanoic acid methyl ester 在 N-甲基吗啉 、 lithium hydroxide 、 戴斯-马丁氧化剂 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成
  参考文献：
  名称：

  PYRIDONE-BASED PEPTIDOMIMETIC INHIBITORS OF INTERLEUKIN-1β-CONVERTING ENZYME (ICE)

  摘要：

  New potent, reversible inhibitors of recombinant human Interleukin-1 beta-converting enzyme (ICE, caspase-1) with significantly reduced peptide character are described. The compounds were designed by incorporation of pyridone and pyrimidone heterocyclic replacements for the P-2-P-3 amino acids of the native substrate and were optimised by manipulation of peripheral alkyl and aryl substituents. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00220-5
• 作为产物：
  描述：

  2-(3-硝基-2-氧代吡啶-1(2H)-基)乙酸甲酯 在 palladium on activated charcoal 氢气 作用下， 生成 2-(3-amino-2-oxo-1-pyridyl)ethanoic acid methyl ester
  参考文献：
  名称：

  PYRIDONE-BASED PEPTIDOMIMETIC INHIBITORS OF INTERLEUKIN-1β-CONVERTING ENZYME (ICE)

  摘要：

  New potent, reversible inhibitors of recombinant human Interleukin-1 beta-converting enzyme (ICE, caspase-1) with significantly reduced peptide character are described. The compounds were designed by incorporation of pyridone and pyrimidone heterocyclic replacements for the P-2-P-3 amino acids of the native substrate and were optimised by manipulation of peripheral alkyl and aryl substituents. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00220-5

文献信息

• Pyridazinone-based broad spectrum anti-influenza inhibitors
  申请人：Hoffmann-La Roche Inc.

  公开号：US10597380B2

  公开（公告）日：2020-03-24

  The present invention relates to compounds of formula (I): or pharmaceutically acceptable salts thereof, as well as processes for their manufacture, pharmaceutical compositions comprising them, and their use as medicaments.

  本发明涉及式（I）化合物： 或其药学上可接受的盐类，以及它们的制造工艺、包含它们的药物组合物和它们作为药物的用途。
• Structure-based design of non-peptidic pyridone aldehydes as inhibitors of interleukin-1β converting enzyme
  作者：Julian M.C. Golec、Michael D. Mullican、Mark A. Murcko、Keith P. Wilson、David P. Kay、Stuart D. Jones、Robert Murdoch、Guy W. Bemis、Scott A. Raybuck、Yu-Ping Luong、David J. Livingston

  DOI：10.1016/s0960-894x(97)00394-6

  日期：1997.9

  Pyridone derivatives, especially with 6-aryl substituents, have been shown to be useful P-2-P-3 peptidomimetic scaffolds for the design of potent inhibitors of ICE. (C) 1997 Elsevier Science Ltd.
• PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3478671B1

  公开（公告）日：2020-05-13
• US5716929A
  申请人：——

  公开号：US5716929A

  公开（公告）日：1998-02-10
• US5847135A
  申请人：——

  公开号：US5847135A

  公开（公告）日：1998-12-08