1,1,1-tris[2-(p-methoxybenzylamino)ethyl]methane | 488706-20-3

• 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: 1,1,1-tris[2-(p-methoxybenzylamino)ethyl]methane
• 英文别名: N,N'-bis[(4-methoxyphenyl)methyl]-3-[2-[(4-methoxyphenyl)methylamino]ethyl]pentane-1,5-diamine
• CAS: 488706-20-3
• 化学式: C₃₁H₄₃N₃O₃
• 分子量: 505.701
• InChiKey: PHZXRPRLUJHVGP-UHFFFAOYSA-N

物化性质

• 沸点：
  645.0±55.0 °C(Predicted)
• 密度：
  1.065±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  37
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  63.8
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,1,1-tris[2-(p-methoxybenzylamino)ethyl]methane 在 palladium dihydroxide 氢气 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 乙腈 为溶剂， 100.0 ℃ 、300.01 kPa 条件下， 反应 15.0h， 生成 5-[[5-[(2-Methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]amino]-5-oxopentanoic acid
  参考文献：
  名称：

  WO2007/138291

  摘要：

  公开号：
• 作为产物：
  描述：

  tris(methyloxycarbonylmethyl)methane 在 硼烷四氢呋喃络合物 作用下， 反应 26.0h， 以84%的产率得到1,1,1-tris[2-(p-methoxybenzylamino)ethyl]methane
  参考文献：
  名称：

  [EN] INHIBITOR IMAGING AGENTS
  [FR] AGENTS INHIBITEURS D'IMAGERIE

  摘要：

  本发明揭示了一种成像试剂，其中包括一种特定类型的矩阵金属蛋白酶抑制剂（MMPi's），属于磺胺基羟肟类，并标记有成像基团，可用于哺乳动物体内成像和诊断的诊断成像试剂。

  公开号：

  WO2005049005A1

文献信息

• Novel Imaging Agents for Fibrosis
  申请人：Chettibi Salah

  公开号：US20080279765A1

  公开（公告）日：2008-11-13

  The present invention provides a novel imaging agent targeting the mannose-6-phosphate (M6P) receptor 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. The invention also provides a pharmaceutical composition comprising the imaging agent and a kit for the preparation of the pharmaceutical composition. 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 the mannose-6-phosphate receptor is upregulated is provided.

  本发明提供了一种新型的成像剂，针对甘露糖-6-磷酸（M6P）受体，适用于非侵入性可视化纤维化。本发明还提供了一种用于制备成像剂的方法，以及用于该方法的前体。本发明还提供了包括成像剂的药物组合物以及用于制备药物组合物的工具包。在另一个方面，本发明提供了利用成像剂进行体内成像和制备用于诊断甘露糖-6-磷酸受体上调病况的药物的方法。
• 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。
• [EN] IMPROVED IMAGING AGENTS COMPRISING BARBITURIC ACID DERIVATIVES<br/>[FR] AGENTS D'IMAGERIE AMELIORES CONTENANT DES DERIVES DE L'ACIDE BARBITURIQUE
  申请人：AMERSHAM PLC

  公开号：WO2004032936A1

  公开（公告）日：2004-04-22

  The present invention relates to diagnostic imaging agents for in vivo imaging. The imaging agents comprise a synthetic barbituric acid derivative labelled at the 5-position with an imaging moiety suitable for diagnostic imaging in vivo. The invention also provides pharmaceutical and radiopharmaceutical compositions comprising the imaging agents, together with kits of the preparation of the radiopharmaceuticals. Also described are chelator conjugates of the barbituric acid derivative, which are suitable for the preparation of imaging agents comprising a radioactive or paramagnetic metal ion. The imaging agents are useful for the diagnostic imaging in vivo of various disease states, including atherosclerosis.

  本发明涉及用于体内成像的诊断成像剂。成像剂包括一种合成的巴比妥酸衍生物，在5位标记有适用于体内诊断成像的成像基团。本发明还提供了包括成像剂的制药和放射药物组合物，以及放射药物的制备套件。此外，还描述了巴比妥酸衍生物的螯合物共轭物，适用于制备包含放射性或顺磁性金属离子的成像剂。成像剂对于体内各种疾病状态的诊断成像非常有用，包括动脉粥样硬化。
• Imaging agents comprising barbituric acid derivatives
  申请人：Kopka Klaus

  公开号：US20060120956A1

  公开（公告）日：2006-06-08

  The present invention relates to diagnostic imaging agents for in vivo imaging. The imaging agents comprise a synthetic barbituric acid derivative labelled at the 5-position with an imaging moiety suitable for diagnostic imaging in vivo. The invention also provides pharmaceutical and radiopharmaceutical compositions comprising the imaging agents, together with kits of the preparation of the radiopharmaceuticals. Also described are chelator conjugates of the barbituric acid derivative, which are suitable for the preparation of imaging agents comprising a radioactive or paramagnetic metal ion. The imaging agents are useful for the diagnostic imaging in vivo of various disease states, including atherosclerosis.

  本发明涉及用于体内成像的诊断成像剂。成像剂包括一种合成的巴比妥酸衍生物，在5位标记有适用于体内诊断成像的成像基团。本发明还提供了包含成像剂的制药和放射制药组合物，以及放射制药的制备工具箱。还描述了巴比妥酸衍生物的螯合物共轭物，适用于制备包含放射性或顺磁性金属离子的成像剂。成像剂可用于体内诊断成像各种疾病状态，包括动脉粥样硬化。
• Chelator conjugates
  申请人：——

  公开号：US20040258619A1

  公开（公告）日：2004-12-23

  The present invention relates to improved chelator conjugates with biological targeting molecules, suitable for forming metal complexes with radiometals. The radiometal complexes, especially with the radiometal 99m Tc, are useful as radiopharmaceuticals.

  本发明涉及改进的螯合剂共轭物与生物靶向分子的结合，适用于与放射性金属形成金属络合物。特别是与放射性金属99mTc形成的放射性金属络合物，可作为放射性药物使用。