4-(3-(fluoromethyl)phenyl)piperazine-1-carboximidamide | 1037078-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(3-(fluoromethyl)phenyl)piperazine-1-carboximidamide
• 英文别名: 4-[3-(fluoromethyl)phenyl]piperazine-1-carboximidamide
• CAS: 1037078-64-0
• 化学式: C₁₂H₁₇FN₄
• 分子量: 236.292
• InChiKey: DKVMTBMEKBKSEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  56.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tert-butyl 4-(3-fluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester 、 吡唑-1-羧酰胺 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 0.75h， 以23%的产率得到4-(3-(fluoromethyl)phenyl)piperazine-1-carboximidamide
  参考文献：
  名称：

  WO2008/83056

  摘要：

  公开号：

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。
• Ligands for imaging cardiac innervation
  申请人：Purohit Ajay

  公开号：US08491868B2

  公开（公告）日：2013-07-23

  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.

  本发明公开了一种新型化合物，其可用作核医学应用（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）、改善的定量数据和/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相结合而开发的：芳基，烷基，酮基，苄基，β-烷基醚，γ-丙基烷基醚和β-丙基烷基醚。或者，还可以在胺基上添加甲基，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：Radeke Heike S.

  公开号：US20140328756A1

  公开（公告）日：2014-11-06

  The present invention relates to systems, compositions, and methods for the synthesis and use of imaging agents, or precursors thereof. An imaging agent precursor 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 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. In some embodiments, methods and compositions for assessing perfusion and innervation mismatch in a portion of a subject are provided.

  本发明涉及用于合成和使用成像剂或其前体的系统、组合物和方法。使用本文所述的方法可以将成像剂前体转化为成像剂。在某些情况下，成像剂富含18F。在某些情况下，成像剂可以用于成像主体的感兴趣区域，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。在某些实施例中，提供了用于评估主体部分的灌注和神经支配不匹配的方法和组成物。
• 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
• US8491868B2
  申请人：——

  公开号：US8491868B2

  公开（公告）日：2013-07-23