(R)-2-(2-fluoro-biphenyl-4-yl)-N-(3-{3-[4-(3-{3-[2-(2-fluoro-biphenyl-4-yl)-(R)-propionylamino]-propylamino}-propylamino)-3,6-dioxo-cyclohexa-1,4-dienylamino]-propylamino}-propyl)-propionamide | 1130608-93-3

• 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: (R)-2-(2-fluoro-biphenyl-4-yl)-N-(3-{3-[4-(3-{3-[2-(2-fluoro-biphenyl-4-yl)-(R)-propionylamino]-propylamino}-propylamino)-3,6-dioxo-cyclohexa-1,4-dienylamino]-propylamino}-propyl)-propionamide
• 英文别名: (2R)-2-(3-fluoro-4-phenylphenyl)-N-[3-[3-[[4-[3-[3-[[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]amino]propylamino]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propylamino]propyl]propanamide
• CAS: 1130608-93-3
• 化学式: C₄₈H₅₆F₂N₆O₄
• 分子量: 819.007
• InChiKey: FIHKSIJMFNDTLZ-KKLWWLSJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  60
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  141
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (R)-2-氟比洛芬 氟比洛芬 在 2,5-二甲氧基-1,4-苯醌 、 1,2-二氯乙烷 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 (R)-2-(2-fluoro-biphenyl-4-yl)-N-(3-{3-[4-(3-{3-[2-(2-fluoro-biphenyl-4-yl)-(R)-propionylamino]-propylamino}-propylamino)-3,6-dioxo-cyclohexa-1,4-dienylamino]-propylamino}-propyl)-propionamide
  参考文献：
  名称：

  Quinones bearing non-steroidal anti-inflammatory fragments as multitarget ligands for Alzheimer’s disease

  摘要：

  The anti-amyloid properties shared by several quinones inspired the design of a new series of hybrids derived from the multi-target drug candidate memoquin (1). The hybrids consist of a central benzoquinone core and a fragment taken from non-steroidal anti-inflammatory drugs, connected through polyamine linkers. The new hybrids retain the potent anti-aggregating activity of the parent 1, while exhibiting micromolar AChE inhibitory activities. Remarkably, 2, 4, (R)-6 and (S)-6 were Ab aggregation inhibitors even more potent than 1. The balanced amyloid/cholinesterase inhibitory profile is an added value that makes the present series of compounds promising leads against Alzheimer's disease. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.091

文献信息

• [EN] ORGANIC COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, USES AND METHODS FOR THE PREPARATION THEREOF<br/>[FR] COMPOSÉS ORGANIQUES UTILES POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES, LEURS UTILISATIONS ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：UNIV BOLOGNA ALMA MATER

  公开号：WO2009034457A1

  公开（公告）日：2009-03-19

  Compounds having a general formula (I) are used for the treatment of neurodegenerative diseases, wherein at least one of R1 ed R8 is chosen from the group consisting of (II), (III), (V), (VI), (XVII).

  具有通式（I）的化合物用于治疗神经退行性疾病，其中R1和R8中至少有一个选择自由基组（II）、（III）、（V）、（VI）、（XVII）中的一种。
• Quinones bearing non-steroidal anti-inflammatory fragments as multitarget ligands for Alzheimer’s disease
  作者：Federica Prati、Manuela Bartolini、Elena Simoni、Angela De Simone、Antonella Pinto、Vincenza Andrisano、Maria Laura Bolognesi

  DOI：10.1016/j.bmcl.2013.09.091

  日期：2013.12

  The anti-amyloid properties shared by several quinones inspired the design of a new series of hybrids derived from the multi-target drug candidate memoquin (1). The hybrids consist of a central benzoquinone core and a fragment taken from non-steroidal anti-inflammatory drugs, connected through polyamine linkers. The new hybrids retain the potent anti-aggregating activity of the parent 1, while exhibiting micromolar AChE inhibitory activities. Remarkably, 2, 4, (R)-6 and (S)-6 were Ab aggregation inhibitors even more potent than 1. The balanced amyloid/cholinesterase inhibitory profile is an added value that makes the present series of compounds promising leads against Alzheimer's disease. (C) 2013 Elsevier Ltd. All rights reserved.