t-Butyl (3-amino-6-ethyl-2-oxo-1,2-dihydro-1-pyridyl)acetate | 199873-16-0

• 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: t-Butyl (3-amino-6-ethyl-2-oxo-1,2-dihydro-1-pyridyl)acetate
• 英文别名: Tert-butyl 2-(3-amino-6-ethyl-2-oxopyridin-1-yl)acetate
• CAS: 199873-16-0
• 化学式: C₁₃H₂₀N₂O₃
• 分子量: 252.313
• InChiKey: NXPWMJGGCNNQSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  t-Butyl (3-amino-6-ethyl-2-oxo-1,2-dihydro-1-pyridyl)acetate 在 三氟乙酸 作用下， 生成 {6-Ethyl-3-[(naphthalene-1-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-acetic acid
  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：

  6-乙基-2-氧代-1H-吡啶-3-腈 在 palladium on activated charcoal sodium hydroxide 、 叠氮磷酸二苯酯 、 氢溴酸 、 氢气 、 sodium hydride 、 溶剂黄146 、 三乙胺 作用下， 生成 t-Butyl (3-amino-6-ethyl-2-oxo-1,2-dihydro-1-pyridyl)acetate
  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