(3-bromo-4-fluorobenzyl)triphenylphosphonium bromide | 872041-06-0

• 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: (3-bromo-4-fluorobenzyl)triphenylphosphonium bromide
• 英文别名: (3-Bromo-4-fluoro-benzyl)triphenylphosphonium bromide；(3-bromo-4-fluorophenyl)methyl-triphenylphosphanium;bromide
• CAS: 872041-06-0
• 化学式: Br*C₂₅H₂₀BrFP
• 分子量: 530.214
• InChiKey: GPLNPZDDRLXGFN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.09
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-噻吩甲酰氯 、 (3-bromo-4-fluorobenzyl)triphenylphosphonium bromide 在 正丁基锂 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2′ region

  摘要：

  The proteolytic enzyme beta-secretase (BACE1) plays a central role in the synthesis of the pathogenic beta-amyloid in Alzheimer's disease. SAR studies of the S2' region of the BACE1 ligand binding pocket with pyrazolyl and thienyl P2' side chains are reported. These analogs exhibit low nanomolar potency for BACE1, and demonstrate >50-to 100-fold selectivity for the structurally related aspartyl proteases BACE2 and cathepsin D. Small groups attached at the nitrogen of the P2' pyrazolyl moiety, together with the P3 pyrimidine nucleus projecting into the S3 region of the binding pocket, are critical components to ligand's potency and selectivity. P2' thiophene side chain analogs are highly potent BACE1 inhibitors with excellent selectivity against cathepsin D, but only modest selectivity against BACE2. The cell-based activity of these new analogs tracked well with their increased molecular binding with EC50 values of 0.07-0.2 mu M in the ELISA assay for the most potent analogs. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.057
• 作为产物：
  描述：

  3-溴-4-氟苄溴 、 三苯基膦 以 甲苯 为溶剂， 生成 (3-bromo-4-fluorobenzyl)triphenylphosphonium bromide
  参考文献：
  名称：

  由苯乙烯-2-甲氧基苯合成2-苯基萘。

  摘要：

  已经描述了一种从富电子的1-苯乙烯基-2-甲氧基苯合成2-苯基萘的简单而有效的新方法。该反应通过TFA催化的CC键裂解进行，然后原位形成的苯乙烯基三氟乙酸酯中间体的分子间[4 + 2] -Diels-Alder环加成反应。量子化学计算确定了环加成反应的过渡态，并有助于追踪反应机理。该方法已被有效地用于合成菲骨架和基于萘的强效选择性ER-β激动剂。

  DOI：

  10.1039/c4cc05151c

文献信息

• Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase
  申请人：Malamas S. Michael

  公开号：US20050282825A1

  公开（公告）日：2005-12-22

  The present invention provides a compound of formula I and the use thereof for the therapeutic treatment, prevention or amelioration of a disease or disorder characterized by elevated β-amyloid deposits or β-amyloid levels in a patient.

  本发明提供了一种I式化合物及其用于治疗、预防或改善患有β-淀粉样蛋白沉积或患者体内β-淀粉样蛋白水平升高的疾病或紊乱的用途。
• [EN] AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE<br/>[FR] DÉRIVÉS D'AMINO-5,5-DIPHÉNYLIMIDAZOLONE SERVANT À INHIBER LA BÊTA-SECRÉTASE
  申请人：WYETH CORP

  公开号：WO2006009653A1

  公开（公告）日：2006-01-26

  The present invention provides a compound of formula (I) and the use thereof for the therapeutic treatment, prevention or amelioration of a disease or disorder characterized by elevated ß-amyloid deposits or ß-amyloid levels in a patient.

  本发明提供了化合物(I)的配方，以及其在治疗、预防或改善患有ß-淀粉样蛋白沉积或ß-淀粉样蛋白水平升高的病患中的应用。
• AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE
  申请人：Malamas Michael S.

  公开号：US20090093498A1

  公开（公告）日：2009-04-09

  The present invention provides a compound of formula I and the use thereof for the therapeutic treatment, prevention or amelioration of a disease or disorder characterized by elevated β-amyloid deposits or β-amyloid levels in a patient.

  本发明提供了一种I式化合物及其用于治疗、预防或改善患有β-淀粉样蛋白沉积或β-淀粉样蛋白水平升高的疾病或疾病状态的患者的用途。
• Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase
  申请人：Wyeth

  公开号：US07482349B2

  公开（公告）日：2009-01-27

  The present invention provides a compound of formula I and the use thereof for the therapeutic treatment, prevention or amelioration of a disease or disorder characterized by elevated β-amyloid deposits or β-amyloid levels in a patient.

  本发明提供了一种I式化合物及其在治疗、预防或改善患有β-淀粉样沉积物或患者体内β-淀粉样蛋白水平升高的疾病或疾病特征方面的应用。
• US7482349B2
  申请人：——

  公开号：US7482349B2

  公开（公告）日：2009-01-27