benzyl N-[(2S)-1-[[(3S)-1-(4-carbamoyl-2,3,5,6-tetrafluorophenoxy)-7-[[1-[1-[1-(1-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]amino]-2-oxoheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

• 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: benzyl N-[(2S)-1-[[(3S)-1-(4-carbamoyl-2,3,5,6-tetrafluorophenoxy)-7-[[1-[1-[1-(1-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]amino]-2-oxoheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• 化学式: C₆₁H₈₂F₄N₄O₆
• 分子量: 1043.3
• InChiKey: XHDPBLSJEHBPPV-MVRBIKRMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16
• 重原子数：
  75
• 可旋转键数：
  23
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• [EN] PROTEASE-ACTIVATED CONTRAST AGENTS FOR IN VIVO IMAGING<br/>[FR] AGENTS DE CONTRASTE ACTIVÉS PAR UNE PROTÉASE POUR L'IMAGERIE IN VIVO
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2016118910A1

  公开（公告）日：2016-07-28

  Compounds useful as contrast agents in image-guided surgery are provided. The compounds comprise a latent cationic lysosomotropic fragment that is detectable upon cleavage by lysosomal proteases within treated tissues, particularly within tumors and other diseased tissues. Also provided are compositions comprising the compounds and methods for using the compounds, for example in dynamically monitoring protease activity in vivo during image-guided tumor resection surgery.

  提供了作为影像引导手术对比剂有用的化合物。这些化合物包括一种潜在的阳离子溶酶体靶向片段，在治疗组织内被溶酶体蛋白酶裂解后可检测到，特别是在肿瘤和其他患病组织内。还提供了包含这些化合物的组合物和使用这些化合物的方法，例如在影像引导肿瘤切除手术期间动态监测体内蛋白酶活性。
• [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.