(3S) t-Butyl N-(N-benzyloxycarbonyl-(S)-valinyl-(S)-alaninyl)-3-amino-4-(2-benzoxazolyl)-4-oxobutanoate | 175211-11-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (3S) t-Butyl N-(N-benzyloxycarbonyl-(S)-valinyl-(S)-alaninyl)-3-amino-4-(2-benzoxazolyl)-4-oxobutanoate
• 英文别名: Cbz-Val-Ala-Asp(OtBu)-benzoxazol-2-yl；tert-butyl (3S)-4-(1,3-benzoxazol-2-yl)-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxobutanoate
• CAS: 175211-11-7
• 化学式: C₃₁H₃₈N₄O₈
• 分子量: 594.665
• InChiKey: NMVHVMBSLRZJGD-JTJYXVOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  43
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  166
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (3S,4R,S)t-Butyl N-(N-benzyloxycarbonyl-(S)-valinyl-(S)-alaninyl)-3-amino-4-(2-benzoxazolyl)-4-hydroxybutanoate 、 戴斯-马丁氧化剂 以 二氯甲烷 为溶剂， 以97.3 mg (96%)的产率得到(3S) t-Butyl N-(N-benzyloxycarbonyl-(S)-valinyl-(S)-alaninyl)-3-amino-4-(2-benzoxazolyl)-4-oxobutanoate
  参考文献：
  名称：

  Inhibitors of interleukin-1.beta. converting enzyme

  摘要：

  本发明涉及一类新型化合物，它们是白细胞介素-1β转化酶（ICE）的抑制剂。本发明的ICE抑制剂具有特定的结构和理化特性。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适合抑制ICE活性，因此可作为治疗由白细胞介素-1介导的疾病的有效药物，包括炎症性疾病、自身免疫性疾病和神经退行性疾病。本发明还涉及抑制ICE活性的方法以及使用本发明的化合物和组合物治疗由白细胞介素-1介导的疾病的方法。

  公开号：

  US05847135A1

文献信息

• Inhibitors of interleukin-1 beta converting enzyme
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20020099042A1

  公开（公告）日：2002-07-25

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1&bgr; converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently, may be advantageously used as agents against interleukin-1 mediated diseases, including inflammatory diseases, autoimmune diseases and neurodegenerative diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.

  本发明涉及一种新型化合物类别，其为白细胞介素-1β转化酶抑制剂。本发明的ICE抑制剂具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制ICE活性，因此可以优势地用作对白细胞介素-1介导的疾病，包括炎症性疾病、自身免疫疾病和神经退行性疾病的治疗剂。本发明还涉及使用本发明的化合物和组合物抑制ICE活性的方法和治疗白细胞介素-1介导疾病的方法。
• INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME
  申请人：Bemis Guy W.

  公开号：US20120238749A1

  公开（公告）日：2012-09-20

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1β converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently, may be advantageously used as agents against interleukin-1 mediated diseases, including inflammatory diseases, autoimmune diseases and neurodegenerative diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.

  本发明涉及一类新型化合物，其为白细胞介素-1β转化酶抑制剂。本发明的ICE抑制剂具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制ICE活性，因此可以优势地用作对抗白细胞介素-1介导的疾病，包括炎症性疾病、自身免疫性疾病和神经退行性疾病的药物。本发明还涉及使用本发明的化合物和组合物抑制ICE活性的方法和治疗白细胞介素-1介导的疾病的方法。
• Inhibitors of interleukin-1beta converting enzyme
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1394175A1

  公开（公告）日：2004-03-03

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1β converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently may be advantageously used as agents against interleukin-1 mediated diseases, including inflammatory diseases, autoimmune diseases and neurodegenerative diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.

  本发明涉及一类新型化合物，它们是白细胞介素-1β转换酶的抑制剂。本发明的 ICE 抑制剂具有特定的结构和理化特征。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制 ICE 的活性，因此可作为抗白细胞介素-1 介导的疾病（包括炎症性疾病、自身免疫性疾病和神经退行性疾病）的药物。本发明还涉及抑制 ICE 活性的方法以及使用本发明化合物和组合物治疗白细胞介素-1 介导的疾病的方法。
• Inhibitors of interleukin-1Beta converting enzyme
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP2123665A2

  公开（公告）日：2009-11-25

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1β converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently may be advantageously used as agents against interleukin-1 mediated diseases, including inflammatory diseases, autoimmune diseases and neurodegenerative diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.

  本发明涉及一类新型化合物，它们是白细胞介素-1β转换酶的抑制剂。本发明的 ICE 抑制剂具有特定的结构和理化特征。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制 ICE 的活性，因此可作为抗白细胞介素-1 介导的疾病（包括炎症性疾病、自身免疫性疾病和神经退行性疾病）的药物。本发明还涉及抑制 ICE 活性的方法以及使用本发明化合物和组合物治疗白细胞介素-1 介导的疾病的方法。
• US5656627A
  申请人：——

  公开号：US5656627A

  公开（公告）日：1997-08-12