1-(benzyloxy)-3-bromo-5-methylbenzene | 876299-63-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(benzyloxy)-3-bromo-5-methylbenzene
• 英文别名: 1-bromo-3-methyl-5-phenylmethoxybenzene
• CAS: 876299-63-7
• 化学式: C₁₄H₁₃BrO
• 分子量: 277.161
• InChiKey: QWFHNVJNLZJNBU-UHFFFAOYSA-N

物化性质

• 沸点：
  355.1±27.0 °C(Predicted)
• 密度：
  1.341±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(benzyloxy)-3-bromo-5-methylbenzene 在 氢气 、 铜 、 potassium carbonate 、 钯 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 42.0h， 生成 1-(3-((4-amino-6-(phenethylamino)-1,3,5-triazin-2-yl)methoxy)-5-methylphenyl)pyrrolidin-2-one
  参考文献：
  名称：

  Optimization of First-in-Class Dual-Acting FFAR1/FFAR4 Allosteric Modulators with Novel Mode of Action

  摘要：

  DOI：

  10.1021/acsmedchemlett.2c00160
• 作为产物：
  描述：

  3-溴-5-甲基苯酚 、 溴甲苯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以100%的产率得到1-(benzyloxy)-3-bromo-5-methylbenzene
  参考文献：
  名称：

  Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors

  摘要：

  公式（I）的化合物，或其药学上可接受的盐和/或溶剂合物（包括水合物）；以及公式（I）的化合物在治疗TNF介导的疾病、疾病或症状，或p38介导的疾病、疾病或症状中的用途，特别是过敏和非过敏的呼吸道疾病，更特别是梗阻性或炎症性呼吸道疾病，最好是慢性阻塞性肺病。

  公开号：

  US20060035922A1

文献信息

• Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors
  申请人：Mathias John Paul

  公开号：US20090239899A1

  公开（公告）日：2009-09-24

  A compound of formula (I), or a pharmaceutical acceptable salt and/or solvate (including hydrate) thereof; and the use of a compound of formula (I) in the treatment of a TNF-mediated disease, disorder, or condition, or a p38-mediated disease, disorder, or condition, in particular the allergic and non-allergic airways diseases, more particularly obstructive or inflammatory airways diseases, preferably chronic obstructive pulmonary disease.

  公式（I）的化合物，或其药学上可接受的盐和/或溶剂（包括水合物）;以及在治疗TNF介导的疾病，紊乱或状况，或p38介导的疾病，紊乱或状况中使用公式（I）的化合物，特别是过敏和非过敏的气道疾病，更特别是阻塞性或炎症性气道疾病，最好是慢性阻塞性肺病。
• Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors
  申请人：Pfizer Inc.

  公开号：US08076356B2

  公开（公告）日：2011-12-13

  A compound of formula (I), or a pharmaceutical acceptable salt and/or solvate (including hydrate) thereof; and the use of a compound of formula (I) in the treatment of a TNF-mediated disease, disorder, or condition, or a p38-mediated disease, disorder, or condition, in particular the allergic and non-allergic airways diseases, more particularly obstructive or inflammatory airways diseases, preferably chronic obstructive pulmonary disease.

  化合物公式(I)，或其药物可接受的盐和/或溶剂化物(包括水合物)；以及化合物公式(I)在治疗TNF介导的疾病、紊乱或状况，或p38介导的疾病、紊乱或状况中的应用，特别是过敏和非过敏性呼吸道疾病，更特别是阻塞性或炎症性呼吸道疾病，最好是慢性阻塞性肺疾病。
• META-SUBSTITUTED BIPHENYL PERIPHERALLY RESTRICTED FAAH INHIBITORS
  申请人：The Regents of the University of California

  公开号：US20140288170A1

  公开（公告）日：2014-09-25

  The present invention provides methods of making and using peripherally restricted inhibitors of fatty acid amide hydrolase (FAAH). The present invention provides compounds and compositions that suppress FAAH activity and increases anandamide levels outside the central nervous system (CNS). The present invention also sets forth methods for inhibiting FAAH as well as methods for treating conditions such as, but not limited to, pain, inflammation, immune disorders, dermatitis, mucositis, the over reactivity of peripheral sensory neurons, neurodermatitis, and an overactive bladder. Accordingly, the invention also provides compounds, methods, and pharmaceutical compositions for treating conditions in which the selective inhibition of peripheral FAAH (as opposed to CNS FAAH) would be of benefit.

  本发明提供了制备和使用周边限制性脂肪酸酰胺水解酶（FAAH）抑制剂的方法。本发明提供了抑制FAAH活性并增加中枢神经系统（CNS）外的芳香酰胺水平的化合物和组合物。本发明还提出了抑制FAAH的方法以及治疗疼痛、炎症、免疫紊乱、皮炎、口腔炎、周围感觉神经过度反应、神经性皮炎和过度活跃膀胱等疾病的方法。因此，本发明还提供了用于治疗选择性抑制周围FAAH（而不是CNS FAAH）将有益的情况下的化合物、方法和制药组合物。
• TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS
  申请人：Pfizer Limited

  公开号：EP1778686B1

  公开（公告）日：2008-10-29
• HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL
  申请人：DeGiacomo Mark G.

  公开号：US20170145003A1

  公开（公告）日：2017-05-25

  The invention relates to compounds useful in treating conditions associated with voltage-gated ion channel function, particularly conditions associated with sodium channel activity. More specifically, the invention concerns heterocyclic compounds (e.g., compounds according to any of Formulas (1)-(11 1) or Compounds (1)-(65) of Table 1) that are that are useful in treatment of conditions such as epilepsy, cancer, pain, migraine, Parkinson's Disease, mood disorders, schizophrenia, psychosis, tinnitus, amyotropic lateral sclerosis, glaucoma, ischaemia, spasticity disorders, obsessive compulsive disorder, restless leg syndrome and Tourette syndrome.