2-(3-bromophenyl)cyclopropan-1-amine | 1157140-44-7

• 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: 2-(3-bromophenyl)cyclopropan-1-amine
• CAS: 1157140-44-7
• 化学式: C₉H₁₀BrN
• 分子量: 212.089
• InChiKey: CFVKOAMEQVZCAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(3-bromophenyl)cyclopropan-1-amine 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 (3aS,3bS,4aS,5R,5aR)-5-(6-((2-(3-bromophenyl)cyclopropyl)amino)-2-(phenylethynyl)-9H-purin-9-yl)-N,2,2-trimethyltetrahydrocyclopropa[3,4]cyclopenta[1,2-d][1,3]dioxole-3b(3aH)-carboxamide
  参考文献：
  名称：

  Extended N6 substitution of rigid C2-arylethynyl nucleosides for exploring the role of extracellular loops in ligand recognition at the A3 adenosine receptor

  摘要：

  2-Arylethynyl-(N)-methanocarba adenosine 5'-methyluronamides containing rigid N-6-(trans-2-phenylcyclopropyl) and 2-phenylethynyl groups were synthesized as agonists for probing structural features of the A(3) adenosine receptor (AR). Radioligand binding confirmed A(3)AR selectivity and N-6-1S,2R stereoselectivity for one diastereomeric pair. The environment of receptor-bound, conformationally constrained N-6 groups was explored by docking to an A(3)AR homology model, indicating specific hydrophobic interactions with the second extracellular loop able to modulate the affinity profile. 2-Pyridylethynyl derivative 18 was administered orally in mice to reduce chronic neuropathic pain in the chronic constriction injury model. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2014.06.006

文献信息

• [EN] TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS<br/>[FR] TRIAZA-SPIRODÉCANONES UTILISÉES EN TANT QU'INHIBITEURS DE DDR1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017005583A1

  公开（公告）日：2017-01-12

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein L and R1 to R5 are as described herein, as well as processes for their manufacture, pharmaceutical compositions comprising them, and their use as medicaments.

  本发明涉及式(I)的化合物或其药用盐，其中L和R1至R5如本文所述，以及它们的制备方法、包含它们的药物组合物，以及它们作为药物的用途。
• METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS
  申请人：Duke University

  公开号：US20130178520A1

  公开（公告）日：2013-07-11

  Described herein are methods of treating Parkinson's disease using arylcyclopropylamine compounds.

  本文描述了使用芳基环丙胺化合物治疗帕金森病的方法。
• Triaza-spirodecanones as DDR1 inhibitors
  申请人：Hoffmann La-Roche Inc.

  公开号：US10239876B2

  公开（公告）日：2019-03-26

  The present invention relates to compounds of formula (I): or pharmaceutically acceptable salts thereof, wherein L and R1 to R5 are as described herein, as well as processes for their manufacture, pharmaceutical compositions comprising them, and their use as medicaments.

  本发明涉及式（I）化合物： 或其药学上可接受的盐，其中 L 和 R1 至 R5 如本文所述，以及它们的制造工艺、包含它们的药物组合物和它们作为药物的用途。
• TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3317279B1

  公开（公告）日：2021-01-27
• US20140343118A1
  申请人：——

  公开号：US20140343118A1

  公开（公告）日：2014-11-20