N-(4-氟苄基)胍 | 459-33-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(4-氟苄基)胍
• 英文名称: 1-(4-fluorobenzyl)guanidine
• 英文别名: N-(4-Fluorbenzyl)guanidin；p-Fluorbenzylguanidin；2-[(4-fluorophenyl)methyl]guanidine
• CAS: 459-33-6
• 化学式: C₈H₁₀FN₃
• mdl: MFCD06740177
• 分子量: 167.186
• InChiKey: DDTYPUJUKWPXSK-UHFFFAOYSA-N

物化性质

• 沸点：
  274.0±42.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  N-(4-氟苄基)胍 、 (1H-imidazol-1-yl)(3,5,6-trimethylpyrazin-2-yl)methanone 反应 5.0h， 以32.1%的产率得到N-(N-(4-fluorobenzyl)carbamimidoyl)-3,5,6-trimethylpyrazine-2-carboxamide
  参考文献：
  名称：

  Ligustrazine Derivatives. Part 6: Design, Synthesis and Evaluation of Novel Ligustrazinyl Acylguanidine Derivatives as Potential Cardiovascular Agents

  摘要：

  A series of novel Ligustrazinyl acylguanidines was designed, synthesized and evaluated for their protective effect on injured vascular endothelial cell (ECV-304). The preliminary results demonstrated that some compounds possessed more potent activities than that of Ligustrazine in stimulating replication of the injured endothelial cell. Among the active compounds, compounds 8b, 8f and 8l displayed remarkable antioxidative activity with low EC50 values of 0.097, 0.059 and 0.094 mM, respectively. Structure-activity relationships were briefly discussed.

  DOI：

  10.2174/157340612802084243
• 作为产物：
  描述：

  在 sodium hydride 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 N-(4-氟苄基)胍
  参考文献：
  名称：

  Ligustrazine Derivatives. Part 6: Design, Synthesis and Evaluation of Novel Ligustrazinyl Acylguanidine Derivatives as Potential Cardiovascular Agents

  摘要：

  A series of novel Ligustrazinyl acylguanidines was designed, synthesized and evaluated for their protective effect on injured vascular endothelial cell (ECV-304). The preliminary results demonstrated that some compounds possessed more potent activities than that of Ligustrazine in stimulating replication of the injured endothelial cell. Among the active compounds, compounds 8b, 8f and 8l displayed remarkable antioxidative activity with low EC50 values of 0.097, 0.059 and 0.094 mM, respectively. Structure-activity relationships were briefly discussed.

  DOI：

  10.2174/157340612802084243

文献信息

• [EN] WEIGHT REDUCING COMPOUNDS<br/>[FR] COMPOSÉS DE RÉDUCTION DU POIDS
  申请人：UNIV STRATHCLYDE

  公开号：WO2009087395A1

  公开（公告）日：2009-07-16

  The present invention relates to compounds which find use as weight reducing agents, and find use in treating obesity and/or excess adiposity.

  本发明涉及一种化合物，可用作减重剂，并可用于治疗肥胖和/或过多的脂肪堆积。
• Lactam compounds useful as protein kinase inhibitors
  申请人：Blackburn Christopher

  公开号：US20090105213A1

  公开（公告）日：2009-04-23

  The present invention provides novel compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various diseases.

  本发明提供了一种新型化合物，可用作蛋白激酶的抑制剂。本发明还提供了包括本发明化合物的药物组合物以及使用该组合物治疗各种疾病的方法。
• LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Blackburn Christopher

  公开号：US20120178739A1

  公开（公告）日：2012-07-12

  The present invention provides novel compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various diseases.

  本发明提供了一种新型化合物，可用作蛋白激酶抑制剂。本发明还提供了包含所述化合物的药物组合物，以及使用该组合物治疗各种疾病的方法。
• 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：EP3567029A1

  公开（公告）日：2019-11-13

  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 18F. 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.

  本发明涉及合成和使用成像剂或其前体的系统、组合物和方法。成像剂前体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，成像剂可用于成像受试者感兴趣的区域，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。在一些实施方案中，提供了用于评估受试者部分灌注和神经支配失配的方法和组合物。