1-(3-溴苯基)-2-(3-羟基苯基)乙烷-1,2-二酮 | 937593-04-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 1-(3-溴苯基)-2-(3-羟基苯基)乙烷-1,2-二酮
• 英文名称: 1-(3-bromophenyl)-2-(3-hydroxyphenyl)ethane-1,2-dione
• CAS: 937593-04-9
• 化学式: C₁₄H₉BrO₃
• 分子量: 305.128
• InChiKey: TWCYSUSQBCVFNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-溴苯基)-2-(3-羟基苯基)乙烷-1,2-二酮 在 sodium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 38.0h， 生成 3-(4-(3-bromophenyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl)phenyl ethyl(methyl)carbamate
  参考文献：
  名称：

  Design and synthesis of cyclic acylguanidines as BACE1 inhibitors

  摘要：

  Based on the lead compound 1 reported in literature, a series of novel BACE1 inhibitors were designed and synthesized, among which compound 11 exhibited a 14-fold improvement in potency over the lead compound 1. This represents a good lead for the discovery of more promising BACE1 inhibitors for the potential treatment of AD. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.07.020
• 作为产物：
  描述：

  3-((三甲基甲硅烷基)乙炔)苯酚 在 potassium permanganate 、 四丁基氟化铵 、 sodium carbonate 、 magnesium sulfate 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 反应 26.5h， 生成 1-(3-溴苯基)-2-(3-羟基苯基)乙烷-1,2-二酮
  参考文献：
  名称：

  Design and synthesis of cyclic acylguanidines as BACE1 inhibitors

  摘要：

  Based on the lead compound 1 reported in literature, a series of novel BACE1 inhibitors were designed and synthesized, among which compound 11 exhibited a 14-fold improvement in potency over the lead compound 1. This represents a good lead for the discovery of more promising BACE1 inhibitors for the potential treatment of AD. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.07.020

文献信息

• Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia
  申请人：Berg Stefan

  公开号：US20090233930A9

  公开（公告）日：2009-09-17

  This invention relates to novel compounds having the structural formula I below: and to their pharmaceutically acceptable salt, compositions and methods of use. These novel compounds provide a treatment or prophylaxis of cognitive impairment, Alzheimer Disease, neurodegeneration and dementia.

  本发明涉及具有以下结构式I的新化合物，以及它们的药学上可接受的盐、组合物和使用方法。这些新化合物提供了治疗或预防认知障碍、阿尔茨海默病、神经退行性和痴呆症的方法。
• New Compounds 617
  申请人：Berg Stefan

  公开号：US20080176862A1

  公开（公告）日：2008-07-24

  This invention relates to novel compounds having the structural formula I below: and to their pharmaceutically acceptable salt, compositions and methods of use. These novel compounds provide a treatment or prophylaxis of cognitive impairment, Alzheimer Disease, neurodegeneration and dementia.

  本发明涉及具有以下结构式I的新化合物，以及它们的药学上可接受的盐、组合物和使用方法。这些新化合物可用于治疗或预防认知障碍、阿尔茨海默病、神经退行性疾病和痴呆症。
• WO2008/76046
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2007/58602
  申请人：——

  公开号：——

  公开（公告）日：——
• NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER'S DISEASE, NEURODEGENERATION AND DEMENTIA
  申请人：Astra Zeneca AB

  公开号：EP1979324A2

  公开（公告）日：2008-10-15