t-Butyl (3-Benzyloxycarbonylamino-6-ethyl-2-oxo-1,2-dihydro-1-pyridyl)acetate | 179524-38-0

• 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-Benzyloxycarbonylamino-6-ethyl-2-oxo-1,2-dihydro-1-pyridyl)acetate
• 英文别名: Tert-butyl 2-[6-ethyl-2-oxo-3-(phenylmethoxycarbonylamino)pyridin-1-yl]acetate
• CAS: 179524-38-0
• 化学式: C₂₁H₂₆N₂O₅
• 分子量: 386.448
• InChiKey: WPBBWYSZCXZSRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

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

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。
• PYRIDONE-BASED PEPTIDOMIMETIC INHIBITORS OF INTERLEUKIN-1β-CONVERTING ENZYME (ICE)
  作者：Graeme Semple、Doreen M Ashworth、Graham R Baker、Andrzej R Batt、Andrew J Baxter、David W.M Benzies、Lucy H Elliot、D.Michael Evans、Richard J Franklin、Peter Hudson、Paul D Jenkins、Gary R Pitt、David P Rooker、Andrew Sheppard、Michael Szelke、Satoshi Yamamoto、Yasuo Isomura

  DOI：10.1016/s0960-894x(97)00220-5

  日期：1997.5

  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.