[(3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]heptyl] 4-carbamoyl-2,6-dimethylbenzoate

• 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: [(3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]heptyl] 4-carbamoyl-2,6-dimethylbenzoate
• 化学式: C₃₉H₄₈N₄O₉
• 分子量: 716.8
• InChiKey: JWCCKSXFOZSUGB-CONSDPRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  52
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  192
• 氢给体数：
  4
• 氢受体数：
  9

文献信息

• [EN] ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE<br/>[FR] COMPOSÉS DE SONDE BASÉE SUR L'ACTIVITÉ, COMPOSITIONS ET MÉTHODES D'UTILISATION
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2014145257A2

  公开（公告）日：2014-09-18

  Activity-based probe compounds for use in labeling a cysteine protease are provided. The compounds are targeted to the protease through a specific targeting element. The compounds additionally include a detectable element, such as a fluorescent label, a radiolabel, or a chelator. In some cases, the compounds additionally include a quenching element that is released upon reaction with the protease. Also provided are compositions comprising the compounds and methods for using the compounds, for example in labeling a protease in an animal and in visualizing a tumor in an animal.