4-(4-fluorophenoxyl)benzylamine hydrochloride

• 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: 4-(4-fluorophenoxyl)benzylamine hydrochloride
• 英文别名: 4-(4-fluorophenoxy)benzylamine hydrochloride；[4-(4-fluorophenoxy)phenyl]methylamine hydrochloride；[4-(4-Fluorophenoxy)phenyl]methylazanium;chloride
• 化学式: C₁₃H₁₂FNO*ClH
• 分子量: 253.704
• InChiKey: FSCHAOUFEVMQOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  35.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-fluorophenoxyl)benzylamine hydrochloride 、 4,5-二氮芴-9-酮 以 乙醇 为溶剂， 反应 7.0h， 以45%的产率得到N-[4-(4-fluorophenoxy)benzyl]-4,5-diazafluorene-9-imine
  参考文献：
  名称：

  Synthesis and Characterization of New D-π-A Type Fluorene Ligands and Their Ru(II) Complexes

  摘要：

  4,5-Diazafluorene ligands, (L1) and (L2), have been synthesized from the reaction of 4,5-diazafluorenone-9-hydrazone with 4-(4-fluorophenoxy) benzaldehyde and 4,5-diazafluoren-9-one with 4-(4-fluorophenoxy) benzylamine hydrochloride in dry EtOH. Ru(II) complexes of the ligands Ru(II)-L1 and Ru(II)-L2 were prepared by treating the ligands with Ru(bpy)(2)CI2 in dry EtOH. The metal-to-ligand ratio of the Ru(II) complexes was found to be 1:1. The ligands and complexes were characterized by elemental analysis and spectra FTIR, UV-vis, H-1 NMR, MS, and fluorescence studies.

  DOI：

  10.1080/15533174.2013.867879
• 作为试剂：
  描述：

  4-(4-fluorophenoxyl)benzylamine hydrochloride 、 [5(2S,4R)]-2-methoxy-5-[[2-(2-oxo-4-benzyloxazolidin-3-yl)carbonyl]pentyl]benzoic acid 在 4-(4-fluorophenoxyl)benzylamine hydrochloride 作用下， 生成 [2(3S),4R]-3-[2-ethyl-3-[4-methoxy-3-[N-[(4-fluorophenoxyphenyl)methyl]carbamoyl]phenyl]propionyl]-4-benzyloxazolidine-2-one
  参考文献：
  名称：

  Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor (PPAR) &agr;

  摘要：

  本发明提供了一种新型取代苯丙酸衍生物，它们通过作为人类过氧化物酶体增殖物激活受体α（PPARα）的配体结合而激活，并表现出强效的降低血液中脂质（胆固醇和甘油三酯）的作用。它涉及一种由通式（1）表示的取代苯丙酸衍生物，它们的药学上可接受的盐和水合物，以及制备它们的方法。

  公开号：

  US06506797B1

文献信息

• Positional Scanning Synthesis of a Peptoid Library Yields New Inducers of Apoptosis that Target Karyopherins and Tubulin
  作者：Glòria Vendrell-Navarro、Federico Rúa、Jordi Bujons、Andreas Brockmeyer、Petra Janning、Slava Ziegler、Angel Messeguer、Herbert Waldmann

  DOI：10.1002/cbic.201500169

  日期：2015.7.27

  High‐content screening of positional scanning libraries (PS‐SCLs) represents a promising route for the discovery of biologically relevant compounds. Combined with target identification studies, this strategy successfully enabled the discovery of two pro‐apoptotic compounds from a peptoid PS‐SCL. Despite their high structural similarity, they displayed different mechanisms of action.

  位置扫描库（PS-SCL）的高含量筛选是发现生物相关化合物的有前途的途径。结合目标识别研究，该策略成功地从类肽PS-SCL中发现了两种促凋亡化合物。尽管它们的结构相似性很高，但它们显示出不同的作用机理。
• [EN] PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE<br/>[FR] PYRIDINEDIONE CARBOXAMIDES CONVENANT COMME INHIBITEURS DE LA LIPASE ENDOTHÉLIALE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013049104A1

  公开（公告）日：2013-04-04

  The present invention provides compounds of Formula (I): as defined in the specification and compositions comprising any of such novel compounds. These compounds are endothelial lipase inhibitors which may be used as medicaments.

  本发明提供了如下式（I）的化合物：如规范中定义的以及包含任何这种新化合物的组合物。这些化合物是内皮酯酶抑制剂，可用作药物。
• 5,5-헤테로방향족 항-감염 화합물
  申请人：UNIVERSITY OF NOTRE DAME DU LAC 유니버시티 오브 노트르 담 듀락(519980619386)

  公开号：KR20150088990A

  公开（公告）日：2015-08-04

  본 발명은 일련의 5,5-헤테로방향족 화합물, 이의 합성, 이의 조성물, 및 이러한 화합물 및 조성물의 사용 방법을 제공한다. 다양한 실시형태는 엠. 투버쿨로시스(M. tuberculosis) 및/또는 엠. 아비움(M. avium)의 성장을 사멸시키고/시키거나 저해하는 방법, 및 대상체에서 엠. 투버쿨로시스 및/또는 엠. 아비움 감염을 치료, 예방 및/또는 개선시키는 방법을 제공한다. 다양한 실시형태에서, 5,5-헤테로방향족 화합물은 N-(4-(4-클로로페녹시)벤질)-2,6-다이메틸이미다조[2,1-b]티아졸-5-카복스아마이드가다.

  该专利涉及一系列的5,5-杂环芳香化合物，其合成，组合物及这些化合物和组合物的使用方法。各种实施方式包括杀灭和/或抑制结核分枝杆菌（M. tuberculosis）和/或鸟型分枝杆菌（M. avium）的生长的方法，以及治疗、预防和/或改善宿主体内结核分枝杆菌和/或鸟型分枝杆菌感染的方法。在各种实施方式中，5,5-杂环芳香化合物是N-(4-(4-氯苯氧基)苄基)-2,6-二甲基咪唑[2,1-b]噻唑-5-羰基酰胺。
• 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS
  申请人：UNIVERSITY OF NOTRE DAME DU LAC

  公开号：US20150210715A1

  公开（公告）日：2015-07-30

  The invention provides a series of 5,5-heteroaromatic compounds, syntheses thereof, compositions thereof, and methods of using such compounds and compositions. Various embodiments provide methods of killing and/or inhibiting the growth of M. tuberculosis and/or M. avium , and methods of treating, preventing, and/or ameliorating M. tuberculosis and/or M. avium infections in a subject. In various embodiments, the 5,5-heteroaromatic compound is N-(4-(4-chlorophenoxy)benzyl)-2,6-dimethylimidazo[2,1-b]thiazole-5-carboxamide.

  该发明提供了一系列5,5-杂环芳烃化合物，其合成方法，组合物以及使用这些化合物和组合物的方法。各种实施方式提供了杀灭和/或抑制结核分枝杆菌和/或分枝杆菌的生长的方法，以及治疗、预防和/或改善受试者体内结核分枝杆菌和/或分枝杆菌感染的方法。在各种实施方式中，5,5-杂环芳烃化合物为N-(4-(4-氯苯氧基)苄基)-2,6-二甲基咪唑[2,1-b]噻唑-5-羧酰胺。
• Novel stable crystals of substituted phenylpropionic acid derivative and process for producing the same
  申请人：Orita Kazuo

  公开号：US20050228050A1

  公开（公告）日：2005-10-13

  Preparation of (S)-2-[[3-[N-[4-[(4-fluorophenoxy)phenyl]methyl]carbamoyl]-4-methoxyphenyl]methyl]butanoic acid (referred to as compound (I)) on an industrial scale lies in the finding of crystals homogeneous and excellent in the stability and the establishment of a preparative process thereof. Novel crystals of compound (I) homogeneous and excellent in the stability characterized by exhibiting the diffraction angles (2θ) at at least 17.7°, 19.0° and 24.1° in the X-ray powder diffraction are provided by recrystallizing from an alcoholic solvent and purifying by acid-base treatment.

  (S)-2-[[3-[N-[4-[(4-氟苯氧)苯基]甲基]氨基甲酰]-4-甲氧基苯基]甲基]丁酸（简称化合物(I)）的工业规模制备在于发现晶体的均匀性和稳定性，并建立其制备过程。通过从醇类溶剂中重新结晶并通过酸碱处理纯化，提供了表现出X射线粉末衍射中至少17.7°、19.0°和24.1°的衍射角度（2θ）的化合物(I)的新晶体，这些晶体均匀且稳定。