Guanidine, N-((3-bromo-4-(3-fluoropropoxy)phenyl)methyl)- | 1037359-46-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Guanidine, N-((3-bromo-4-(3-fluoropropoxy)phenyl)methyl)-
• 英文别名: 2-[[3-bromo-4-(3-fluoropropoxy)phenyl]methyl]guanidine
• CAS: 1037359-46-8
• 化学式: C₁₁H₁₅BrFN₃O
• 分子量: 304.16
• InChiKey: ZYULQCDNUYJBRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• LIGANDS FOR IMAGING CARDIAC INNERVATION
  申请人：Purohit Ajay

  公开号：US20100221182A1

  公开（公告）日：2010-09-02

  Novel compounds that find use as imaging agents within nuclear medicine applications (PET imaging) for imaging of cardiac innervation are disclosed. These PET based radiotracers may exhibit increased stability, decreased NE release (thereby reducing side effects), improved quantitative data, and/or high affinity for VMAT over prior radiotracers. Methods of using the compounds to image cardiac innervation are also provided. In some instances the compounds are developed by derivatizing certain compounds with 18 F in a variety of positions: aryl, alkyl, a keto, benzylic, beta-alkylethers, gamma-propylalkylethers and beta-proplylalkylethers. Alternatively or additionally, a methyl group a is added to the amine, and/or the catechol functionality is either eliminated or masked as a way of making these compounds more stable.

  本发明揭示了一种新型化合物，可用作核医学应用（PET成像）中的成像剂，用于成像心脏神经。这些基于PET的放射性示踪剂可能表现出增加的稳定性，减少NE释放（从而减少副作用），改善定量数据和/或高亲和力，以VMAT优于先前的放射性示踪剂。还提供了使用这些化合物成像心脏神经的方法。在某些情况下，这些化合物是通过在各种位置上衍生化某些化合物与18F而开发出来的：芳基，烷基，酮，苄基，β-烷基醚，γ-丙基烷基醚和β-丙基烷基醚。或者，还可以添加甲基基团到胺中，和/或消除或掩盖儿茶酚的功能，以使这些化合物更加稳定。
• COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS
  申请人：Purohit Ajay

  公开号：US20130149244A1

  公开（公告）日：2013-06-13

  The present invention generally relates to novel synthetic methods, systems, kits, salts, and precursors useful in medical imaging. In some embodiments, the present invention provides compositions comprising an imaging agent precursor, which may be formed using the synthetic methods described herein. An imaging agent may be converted to an imaging agent using the methods described herein. In some cases, the imaging agent is enriched in 18 F. In some cases, an imaging agent including salt forms (e.g., ascorbate salt) may be used to image an area of interest in a subject, including, but not limited to, the heart, cardiovascular system, cardiac vessels, brain, and other organs.

  本发明通常涉及用于医学成像的新型合成方法、系统、试剂盒、盐和前体。在某些实施例中，本发明提供包含成像剂前体的组合物，该前体可使用本文所述的合成方法形成。成像剂可以使用本文所述的方法转化为成像剂。在某些情况下，成像剂富含18F。在某些情况下，包括盐形式（例如抗坏血酸盐）的成像剂可以用于成像受试者的感兴趣区域，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。
• Ligands for imaging cardiac innervation
  申请人：Lantheus Medical Imaging, Inc.

  公开号：EP2474523A2

  公开（公告）日：2012-07-11

  Novel compounds that find use as imaging agents within nuclear medicine applications (PET imaging) for imaging of cardiac innervation are disclosed. These PET based radiotracers may exhibit increased stability, decreased NE release (thereby reducing side effects), improved quantitative data, and/or high affinity for VMAT over prior radiotracers. Methods of using the compounds to image cardiac innervation are also provided. In some instances the compounds are developed by derivatizing certain compounds with 18F in a variety of positions: aryl, alkyl, a keto, benzylic, beta-alkylethers, gamma-propylalkylethers and beta-proplylalkylethers. Alternatively or additionally, a methyl group a is added to the amine, and/or the catechol functionality is either eliminated or masked as a way of making these compounds more stable.

  本研究公开了在核医学应用（PET 成像）中用作心脏神经支配成像剂的新型化合物。这些基于 PET 的放射性racer 与之前的放射性racer 相比，可表现出更高的稳定性、更少的 NE 释放（从而减少副作用）、更好的定量数据和/或对 VMAT 的高亲和力。还提供了使用这些化合物对心脏神经支配进行成像的方法。在某些情况下，这些化合物是通过在芳基、烷基、酮基、苄基、β-烷基醚、γ-丙基烷基醚和β-丙烯基烷基醚等不同位置上用 18F 对某些化合物进行衍生而得到的。另外，还可以在胺中加入甲基，和/或消除或掩盖儿茶酚官能团，使这些化合物更加稳定。
• Compositions, methods, and systems for the synthesis and use of imaging agents
  申请人：Lantheus Medical Imaging, Inc.

  公开号：US11174223B2

  公开（公告）日：2021-11-16

  The present invention generally relates to novel synthetic methods, systems, kits, salts, and precursors useful in medical imaging. In some embodiments, the present invention provides compositions comprising an imaging agent precursor, which may be formed using the synthetic methods described herein. An imaging agent may be converted to an imaging agent using the methods described herein. In some cases, the imaging agent is enriched in 18F. In some cases, an imaging agent including salt forms (e.g., ascorbate salt) may be used to image an area of interest in a subject, including, but not limited to, the heart, cardiovascular system, cardiac vessels, brain, and other organs.

  本发明一般涉及用于医学成像的新型合成方法、系统、试剂盒、盐类和前体。在某些实施方案中，本发明提供了包含成像剂前体的组合物，成像剂前体可使用本文所述的合成方法形成。成像剂可通过本文所述方法转化为成像剂。在某些情况下，成像剂富含 18F。在某些情况下，成像剂包括盐形式（如抗坏血酸盐），可用于对受试者感兴趣的区域成像，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。
• N-[3-BROMO-4-(3- [18F]FLUOROPROPOXY)-BENZYL]-GUANIDINE FOR IMAGING CARDIAC INNERVATION
  申请人：Lantheus Medical Imaging, Inc.

  公开号：EP2114873B1

  公开（公告）日：2013-02-20