N-(4-bromobenzyl)-5-methoxytryptamine | 155639-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(4-bromobenzyl)-5-methoxytryptamine
• 英文别名: 3-<2-(N-(4-bromobenzyl)amino)ethyl>-5-methoxyindole；N-[(4-bromophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
• CAS: 155639-13-7
• 化学式: C₁₈H₁₉BrN₂O
• 分子量: 359.266
• InChiKey: XHLOUFPZLUULGI-UHFFFAOYSA-N

物化性质

• 沸点：
  519.7±45.0 °C(Predicted)
• 密度：
  1.377±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-甲氧基色胺 在 aluminium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 5.0h， 生成 N-(4-bromobenzyl)-5-methoxytryptamine
  参考文献：
  名称：

  Influence of Amine Substituents on 5-HT2A versus 5-HT2C Binding of Phenylalkyl- and Indolylalkylamines

  摘要：

  The effect of 15 different amine substituents on 5-HT2A and 5-HT2C serotonin receptor binding was investigated for two series of compounds (i.e., phenylalkylamine and indolylalkylamine derivatives). In general, amine substitution decreases receptor affinity; however, N-(4-bromobenzyl) substitution results in compounds that bind at 5-HT2A receptors with high affinity (K-i < 1 nM) and with >100-fold selectivity. Although parallel structural modifications in the two series result in parallel shifts in 5-HT2C binding, these same modifications alter 5-HT2A binding in a less consistent manner.

  DOI：

  10.1021/jm00039a004

文献信息

• Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents
  申请人：Verheijen C. Jeroen

  公开号：US20050096387A1

  公开（公告）日：2005-05-05

  Carbamoyl esters inhibit cholinesterase activity and, upon hydrolysis release a pharmacologically active agent. In one embodiment, the carbamoyl ester has the following structure: wherein A is selected from the group consisting of an unsubstituted aryl, a substituted aryl, an unsubstituted heteroaryl and a substituted heteroaryl. The carbamoyl esters are employed in methods to treat an individual. The pharmacologically active agent obtained by hydrolysis of the carbamoyl esters can treat, for example, a nervous system condition, a cholinergic deficiency and conditions or diseases associated with a deficiency in a pharmacologically active agent, such as acetylcholine.

  碳酰基酯抑制胆碱酯酶活性，水解后释放出药理活性成分。在一种实施例中，碳酰基酯具有以下结构：其中A选自无取代芳基、取代芳基、无取代杂环芳基和取代杂环芳基的群组。碳酰基酯用于治疗个体的方法中。通过水解碳酰基酯获得的药理活性成分可以治疗例如神经系统疾病、胆碱能缺乏以及与药理活性成分缺乏相关的疾病或病症，例如乙酰胆碱。
• 5-HTX MODULATORS
  申请人：Klaveness Jo

  公开号：US20090029979A1

  公开（公告）日：2009-01-29

  This invention relates to compounds which bind to serotonin receptors inside or outside the central nervous system, in particular compounds which bind to the 5-HT 2 or 5-HT 7 receptors, their preparation and use, compositions containing them, and methods of treatment using them.

  本发明涉及与中枢神经系统内或外的血清素受体结合的化合物，特别是与5-HT2或5-HT7受体结合的化合物，其制备和使用，包含它们的组合物以及使用它们的治疗方法。
• Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions
  申请人：Kõster Hubert

  公开号：US20100248264A1

  公开（公告）日：2010-09-30

  Capture compounds and collections thereof and methods using the compounds for the analysis of biomolecules are provided. In particular, collections, compounds and methods are provided for analyzing complex protein mixtures, such as the proteome. The compounds are multifunctional reagents that provide for the separation and isolation of complex protein mixtures. Automated systems for performing the methods also are provided.

  提供了捕获化合物及其集合以及使用这些化合物进行生物分子分析的方法。特别地，提供了用于分析复杂蛋白质混合物（如蛋白质组）的集合、化合物和方法。这些化合物是多功能试剂，可用于分离和分离复杂的蛋白质混合物。还提供了执行这些方法的自动化系统。
• NOVEL PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DYSTONIA
  申请人：Korea Advanced Institute of Science and Technology

  公开号：EP3718549A1

  公开（公告）日：2020-10-07

  The present invention relates to a novel pharmaceutical composition for the treatment of dystonia or relieving pain caused by myotonic condition in a subject suffering from dystonia. Particularly, the present invention provides a pharmaceutical composition for treating dystonia or relieving pain caused by dystonia comprising a serotonin receptor 5-HT2A inhibitor as an active ingredient.

  本发明涉及一种新型药物组合物，用于治疗肌张力障碍或缓解肌张力障碍患者肌张力状况引起的疼痛。特别是，本发明提供了一种用于治疗肌张力障碍或缓解肌张力障碍引起的疼痛的药物组合物，该组合物包含作为活性成分的血清素受体 5-HT2A 抑制剂。
• CARBAMOYL ESTERS THAT INHIBIT CHOLINESTERASE AND RELEASE PHARMACOLOGICALLY ACTIVE AGENTS
  申请人：CoLucid Pharmaceuticals, Inc.

  公开号：EP1689704A2

  公开（公告）日：2006-08-16