4-{5-(2-hydroxyimino-1,1-dimethyl-propylamino)-3-[2-(2-hydroxyimino-1,1-dimethyl-propylamino)-ethyl]-pentylcarbamoyl}-thiobutyric acid 2,3,5,6-tetrafluoro-phenyl ester | 489427-21-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-{5-(2-hydroxyimino-1,1-dimethyl-propylamino)-3-[2-(2-hydroxyimino-1,1-dimethyl-propylamino)-ethyl]-pentylcarbamoyl}-thiobutyric acid 2,3,5,6-tetrafluoro-phenyl ester
• 英文别名: S-(2,3,5,6-tetrafluorophenyl) 5-[[5-[(3-hydroxyimino-2-methylbutan-2-yl)amino]-3-[2-[(3-hydroxyimino-2-methylbutan-2-yl)amino]ethyl]pentyl]amino]-5-oxopentanethioate
• CAS: 489427-21-6
• 化学式: C₂₈H₄₃F₄N₅O₄S
• 分子量: 621.74
• InChiKey: DIBBDJNYFQTBQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.37
• 重原子数：
  42.0
• 可旋转键数：
  18.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  135.41
• 氢给体数：
  5.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  NC-100717 、 4-{5-(2-hydroxyimino-1,1-dimethyl-propylamino)-3-[2-(2-hydroxyimino-1,1-dimethyl-propylamino)-ethyl]-pentylcarbamoyl}-thiobutyric acid 2,3,5,6-tetrafluoro-phenyl ester 在 N-甲基吗啉 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 maraciclatide
  参考文献：
  名称：

  [EN] METHODS FOR IMAGING INTEGRIN EXPRESSION AND FOR IMAGING SITES OF ENDOMETRIOSIS
  [FR] PROCÉDÉS D'IMAGERIE DE L'EXPRESSION DE L'INTÉGRINE ET DE FORMATION D'IMAGES DE SITES D'ENDOMÉTRIOSE

  摘要：

  The present invention relates to methods of imaging sites of endometriosis using the radiopharmaceutical agent99m-maraciclatide. The technetium-99m radiopharmaceutical is suitably prepared from a non-radioactive kit containing the RGD peptide maraciclatide. Also described are methods of diagnosis, therapy selection and therapy monitoring of endometriosis using the agent. The invention also includes the use of the kit and/or gamma camera or gamma detector in the methods of the invention.

  公开号：

  WO2023166305A1
• 作为产物：
  描述：

  2-chloro-2-methyl-3-nitrosobutane 在 N-甲基吗啉 、 戊二酸酐 、 potassium carbonate 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 23.25h， 生成 4-{5-(2-hydroxyimino-1,1-dimethyl-propylamino)-3-[2-(2-hydroxyimino-1,1-dimethyl-propylamino)-ethyl]-pentylcarbamoyl}-thiobutyric acid 2,3,5,6-tetrafluoro-phenyl ester
  参考文献：
  名称：

  Technetium labelled peptides

  摘要：

  本发明涉及包含放射性标记的c-Met结合肽的锝显像剂，适用于体内SPECT或PET显像。这些c-Met结合肽通过螯合物结合进行标记。还披露了制剂、药物组合物的制备方法，以及使用这些组合物进行体内显像的方法，特别适用于癌症诊断。

  公开号：

  US09259496B2

文献信息

• Diagnostic imaging agents with mmp inhibitory activity
  申请人：Storey Anthony

  公开号：US20070071670A1

  公开（公告）日：2007-03-29

  The present invention relates to the field of diagnostic imaging. Specifically, the invention relates to the diagnostic imaging of diseases where specific matrix metalloproteinases are known to be involved. One embodiment of the invention is a compound having matrix metalloproteinase inhibitory activity suitable for diagnostic imaging. Also disclosed in the present invention is a pharmaceutical composition comprising the diagnostic imaging agent of the invention in a form suitable for mammalian administration. The invention furthermore discloses intermediates in the synthesis of the diagnostic imaging agents of the invention and kits for the preparation of the pharmaceutical composition of the invention. The pharmaceutical composition of the invention may be used in the diagnosis of diseases where specific matrix metalloproteinases are known to be involved.

  本发明涉及诊断成像领域。具体来说，该发明涉及已知涉及特定基质金属蛋白酶的疾病的诊断成像。该发明的一个实施例是一种具有适用于诊断成像的基质金属蛋白酶抑制活性的化合物。本发明还揭示了一种包含该发明的诊断成像试剂的药物组合物，其适合于哺乳动物的给药形式。此外，该发明还揭示了用于合成该发明的诊断成像试剂的中间体以及用于制备该发明的药物组合物的试剂盒。该发明的药物组合物可用于诊断已知涉及特定基质金属蛋白酶的疾病。
• APOPTOSIS IMAGING AGENTS BASED ON LANTIBIOTIC PEPTIDES
  申请人：Indrevoll Bard

  公开号：US20130189186A1

  公开（公告）日：2013-07-25

  The present invention relates to radiopharmaceutical imaging in vivo of apoptosis. The invention provides imaging agents which target apoptotic cells via selective binding to the aminophospholipid phosphatidylethanolamine (PE), which is exposed on the surface of apoptotic cells. The radiopharmaceuticals comprise radiometal complexes of chelator conjugates of PE-binding peptides. Also provided are pharmaceutical compositions, kits and methods of in vivo imaging.

  本发明涉及体内凋亡的放射性药物成像。该发明提供了靶向凋亡细胞的成像剂，通过选择性结合到暴露在凋亡细胞表面的氨基磷脂磷脂醇胺（PE）。这些放射性药物包括PE结合肽的螯合物共轭物的放射金属络合物。还提供了体内成像的药物组合物、试剂盒和方法。