4-[5-(4'-Iodo-biphenyl-4-yloxy)-6-oxo-1-p-tolyl-1,6-dihydro-4-pyridazinyl]-piperazine-1-carboxylic acid tert-butyl ester | 941314-90-5

• 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-(4'-Iodo-biphenyl-4-yloxy)-6-oxo-1-p-tolyl-1,6-dihydro-4-pyridazinyl]-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-[5-[4-(4-iodophenyl)phenoxy]-1-(4-methylphenyl)-6-oxopyridazin-4-yl]piperazine-1-carboxylate
• CAS: 941314-90-5
• 化学式: C₃₂H₃₃IN₄O₄
• 分子量: 664.543
• InChiKey: VNQOYZBIXXYICW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  74.7
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Novel Imaging Agents for Fibrosis
  申请人：Tolleshaug Helge

  公开号：US20080292547A1

  公开（公告）日：2008-11-27

  The present invention provides a novel imaging agent suitable for the non-invasive visualization of fibrosis. A method for the preparation of the imaging agent is also provided by the invention, as well as a precursor for use in said method. Also provided is a pharmaceutical composition comprising the imaging agent and a kit for the preparation of the pharmaceutical. In a further aspect, use of the imaging agent for in vivo imaging and in the preparation of a medicament for the diagnosis of a condition in which LOX is upregulated is provided.

  本发明提供了一种新型成像剂，适用于无创可视化纤维化。该发明还提供了一种制备成像剂的方法，以及用于该方法的前体。还提供了一种包括成像剂的药物组合物和用于制备药物的工具包。在进一步方面，提供了使用成像剂进行体内成像和制备用于诊断LOX上调病症的药物的方法。