Tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate
• 英文别名: tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate
• 化学式: C₁₄H₂₃NO₄
• 分子量: 269.34
• InChiKey: FWCXRSUQOWFNRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] CYSTEINE PROTEASE CAPTURING AGENTS<br/>[FR] AGENTS DE CAPTURE DE PROTÉASE À CYSTÉINE
  申请人：STICHTING NL KANKER INST

  公开号：WO2014007632A1

  公开（公告）日：2014-01-09

  The invention concerns cysteine protease capturing agents capable of highly selective and irreversible binding of the corresponding cysteine protease. Such compounds may have utility in fundamental biological research and diagnostics, e.g. involving labeled or immobilized versions of such compounds, and they may also have potential utility in therapy, basedon competitive inhibition of the cysteine protease, as will be readily apparent to those skilled in the art. The present inventors have discovered that such capturing agents can be obtained by modification of a cleavage fragment of a 'natural' substrate for the cysteine protease of interest, said modification involving the introduction of a propargyl moiety in such a way that the terminal alkyne group is positioned to allow for interaction with the free thiol group of the cysteine residue at the active site of the protease.

  本发明涉及半胱氨酸蛋白酶捕获剂，能够高度选择性和不可逆地结合对应的半胱氨酸蛋白酶。这些化合物可能在基础生物研究和诊断中有用，例如涉及这些化合物的标记或固定化版本，它们也可能在治疗中具有潜在用途，基于对半胱氨酸蛋白酶的竞争性抑制，这对熟练的技术人员来说是显而易见的。本发明人发现，通过修改半胱氨酸蛋白酶感兴趣的“天然”底物的裂解片段，可以获得这样的捕获剂，该修饰涉及以这样的方式引入丙炔基官能团，以使末端炔基团位于蛋白酶活性位点的半胱氨酸残基与自由巯基团相互作用的位置。
• CYSTEINE PROTEASE CAPTURING AGENTS
  申请人：Stichting Het Nederlands Kanker Instituut

  公开号：EP2869835A1

  公开（公告）日：2015-05-13