2-(benzofuran-2-yl)ethanamine | 90921-29-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-(benzofuran-2-yl)ethanamine
• 英文别名: 3-Benzofuranethanamine；2-(1-benzofuran-2-yl)ethanamine
• CAS: 90921-29-2
• 化学式: C₁₀H₁₁NO
• mdl: MFCD08449448
• 分子量: 161.203
• InChiKey: LPEGMOMWJPWYNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(benzofuran-2-yl)ethanamine 在 盐酸 、 sodium carbonate 作用下， 以 various solvent(s) 为溶剂， 生成 2-甲基-3-[2-(1,2,3,4-四氢苯并呋喃并[3,2-c]吡啶-2-基)乙基]-4H-吡啶并[1,2-A]嘧啶-4-酮
  参考文献：
  名称：

  New 2-substituted 1,2,3,4-tetrahydrobenzofuro[3,2- c ]pyridine having highly active and potent central α 2 -antagonistic activity as potential antidepressants

  摘要：

  The synthesis and biological activity of a series of benzofuro[3,2-c]pyridines and a benzothieno[3,2-c]pyridine are described. These compounds exhibit high affinity for the alpha(2)-adrenoceptor, with high selectivity versus the alpha(1)-receptor. Compound 1 also shows potent in vivo central activity and has been selected for further biological and clinical evaluation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00591-0
• 作为产物：
  描述：

  1-苯并呋喃-2-基乙腈 在 镍 氢气 作用下， 生成 2-(benzofuran-2-yl)ethanamine
  参考文献：
  名称：

  New 2-substituted 1,2,3,4-tetrahydrobenzofuro[3,2- c ]pyridine having highly active and potent central α 2 -antagonistic activity as potential antidepressants

  摘要：

  The synthesis and biological activity of a series of benzofuro[3,2-c]pyridines and a benzothieno[3,2-c]pyridine are described. These compounds exhibit high affinity for the alpha(2)-adrenoceptor, with high selectivity versus the alpha(1)-receptor. Compound 1 also shows potent in vivo central activity and has been selected for further biological and clinical evaluation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00591-0

文献信息

• Virtual Screening Approach to Identifying a Novel and Tractable Series of <i>Pseudomonas aeruginosa</i> Elastase Inhibitors
  作者：Simon Leiris、David T. Davies、Nicolas Sprynski、Jérôme Castandet、Lilha Beyria、Michael S. Bodnarchuk、Jonathan M. Sutton、Toby M. G. Mullins、Mark W. Jones、Andrew K. Forrest、T. David Pallin、Paduri Karunakar、Sathish Kumar Martha、Battu Parusharamulu、Ramesh Ramula、Venkatesh Kotha、Narender Pottabathini、Srinivasu Pothukanuri、Marc Lemonnier、Martin Everett

  DOI：10.1021/acsmedchemlett.0c00554

  日期：2021.2.11

  Novel therapies are required to treat chronic bacterial infections in cystic fibrosis (CF) sufferers. The most common pathogen responsible for these infections is Pseudomonas aeruginosa, which persists within the lungs of CF sufferers despite intensive antibiotic treatment. P. aeruginosa elastase (also known as LasB or pseudolysin) is a key virulence determinant that contributes to the pathogenesis

  需要新的疗法来治疗囊性纤维化 (CF) 患者的慢性细菌感染。导致这些感染的最常见病原体是铜绿假单胞菌，尽管进行了强化抗生素治疗，但它仍然存在于 CF 患者的肺部。铜绿假单胞菌弹性蛋白酶（也称为 LasB 或假溶素）是导致CF 患者中铜绿假单胞菌感染的发病机制和持续存在的关键毒力决定因素。LasB 在假单胞菌毒力中的关键作用使其成为开发 CF 治疗辅助药物的良好靶点。在这里，我们讨论了通过虚拟筛选和计算机辅助药物设计 (CADD) 发现一系列新的 LasB 抑制剂及其优化化合物29和39 ( K i = 0.16 μM 和 0.12 μM，分别)。
• Diversity-Oriented Synthesis of Polycyclic Diazinic Scaffolds
  作者：Nicolas Gigant、Elise Claveau、Pascal Bouyssou、Isabelle Gillaizeau

  DOI：10.1021/ol203364b

  日期：2012.2.3

  An efficient and versatile synthesis of a polycyclic diazinic system starting from oxazine has been developed using a two-step Michael/retro Michael and cyclization sequence. The substrates were synthesized with good to high yields giving rapid access to molecular diversity.

  使用两步迈克尔/复古迈克尔和环化序列已经开发了一种从恶嗪开始的高效多环二叠氮体系合成方法。合成底物的产率高到高，可以快速获得分子多样性。
• [EN] BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME<br/>[FR] LIGANDS BROMODOMAINES BIVALENTS ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：COFERON INC

  公开号：WO2015081284A1

  公开（公告）日：2015-06-04

  Described herein are compounds capable of modulating one or more biomolecules substantially simultaneously, e.g., modulating two or more binding domains (e.g., bromodomains) on a protein or on different proteins. For example, in one aspect, a bivalent compound or a pharmaceutically acceptable salt, stereoisomer, metabolite, or hydrate thereof is provided. In another aspect, a method of treating a disease associated with a protein having tandem bromodomains in a patient in need thereof is provided. The method comprises administering to the patient the bivalent compound as described.

  本文描述了一种能够同时调节一个或多个生物分子的化合物，例如，在蛋白质上或在不同蛋白质上调节两个或更多结合结构域（例如溴结构域）。例如，在一个方面，提供了一种二价化合物或药用盐、立体异构体、代谢物或其水合物。在另一个方面，提供了一种治疗与患有串联溴结构域蛋白相关的疾病的方法，该方法包括向患者注射所述的二价化合物。
• Synthesis of isoindolo[1,2-a]isoquinoline and isoindolo[2,1-a]quinoline derivatives via trifluoroacetic acid-mediated cascade reactions
  作者：Zhuo Huang、Yonggang Meng、Yangang Wu、Chuanjun Song、Junbiao Chang

  DOI：10.1016/j.tet.2021.132280

  日期：2021.7

  Condensation of methyl 2-acylbenzoates with 2-arylethanamines or 2-acylanilines in the presence of trifluoroacetic acid resulted in the formation of isoindolo[1,2-a]isoquinolines or isoindolo[2,1-a]quinolines, respectively, in moderate to excellent isolated yields.

  甲基2-acylbenzoates与2- arylethanamines或在三氟乙酸的存在下2- acylanilines的缩合导致形成异吲哚基的[1,2一]异喹啉或异吲哚基[2,1-一个〕喹啉，分别在中度至优良的分离产率。
• 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Fujii Akihito

  公开号：US20120059012A1

  公开（公告）日：2012-03-08

  Disclosed is a compound represented by Formula (I) or a pharmaceutically acceptable salt thereof: wherein R 1 is 1: a C 3-8 cycloalkyl C 1-4 alkyl group, 2: a C 7-14 aralkyl group, in which the aryl moiety thereof is optionally substituted with the same or different 1 to 3 groups selected from the group consisting of: (a) halogen, (b) C 1-4 alkyl, which is optionally substituted with 1 to 3 fluorine atoms, (c) C 1-4 alkoxy, which is optionally substituted with 1 to 3 fluorine atoms, and (d) C 1-4 alkylcarbonyl, which is optionally substituted with C 1-4 alkoxy, 3: a five- to ten-membered heteroaryl-C 1-4 alkyl group, in which the heteroaryl moiety thereof is optionally substituted with the same or different 1 to 3 groups selected from the group consisting of: (a) halogen, and (b) C 1-4 alkyl, or 4: a C 6-10 aryl C 2-6 alkenyl group; and R 2 is a cyano group or a nitro group.

  揭示了由化学式（I）表示的化合物或其药学上可接受的盐：其中R1是1：C3-8环烷基C1-4烷基基团，2：C7-14芳基烷基基团，其中其芳基部分可选择性地取代为来自以下组成的1至3个相同或不同的基团：(a)卤素，(b)C1-4烷基，可选择性地取代为1至3个氟原子，(c)C1-4烷氧基，可选择性地取代为1至3个氟原子，和(d)C1-4烷基羰基，可选择性地取代为C1-4烷氧基，3：五元至十元杂芳基-C1-4烷基基团，其中其杂芳基部分可选择性地取代为来自以下组成的1至3个相同或不同的基团：(a)卤素，和(b)C1-4烷基，或4：C6-10芳基C2-6烯基基团；和R2是氰基或硝基基团。