2-bromo-1-(3-trifluoromethylpyridin-2-yl)ethanone hydrobromide | 832692-71-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(3-trifluoromethylpyridin-2-yl)ethanone hydrobromide
• 英文别名: 2-bromo-1-(3-trifluoromethyl-pyridin-2-yl)-ethanone hydrobromide；2-bromo-1-[3-(trifluoromethyl)pyridin-2-yl]ethanone;hydrobromide
• CAS: 832692-71-4
• 化学式: BrH*C₈H₅BrF₃NO
• 分子量: 348.945
• InChiKey: PQRVEDDYKWDCBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(3-trifluoromethylpyridin-2-yl)ethanone hydrobromide 在 2,6-二甲基吡啶 、 碳酸氢钠 、 溶剂黄146 、 sodium nitrite 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 氯仿 、 水 为溶剂， 反应 4.0h， 生成 8-chloro-6-methoxymethyl-3-(3-trifluoromethyl-pyridin-2-yl)-pyrido-[2,3-b]pyrazine
  参考文献：
  名称：

  [EN] SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES
  [FR] ANALOGUES DE QUINOLINE-4-YLAMINE SUBSTITUEE

  摘要：

  公开号：

  WO2005007652A3
• 作为产物：
  描述：

  3-三氟甲基-2-吡啶腈 在 氢溴酸 、 溴 作用下， 以 四氢呋喃 、 乙醚 、 溶剂黄146 为溶剂， 反应 5.5h， 生成 2-bromo-1-(3-trifluoromethylpyridin-2-yl)ethanone hydrobromide
  参考文献：
  名称：

  [EN] SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES
  [FR] ANALOGUES DE QUINOLINE-4-YLAMINE SUBSTITUEE

  摘要：

  公开号：

  WO2005007652A3

文献信息

• Substituted quinolin-4-ylamine analogues
  申请人：Bakthavatchalam Rajagopal

  公开号：US20050070547A1

  公开（公告）日：2005-03-31

  Substituted quinolin-4-ylamine analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders-are provided, as are methods for using such ligands for receptor localization studies.

  本发明提供了替代喹啉-4-胺类似物。这些化合物是配体，可用于调节体内或体外特定受体的活性，并且在治疗与人类、家畜伴侣动物和牲畜动物的病理性受体激活相关的疾病方面特别有用。还提供了制备这些药物组合物和使用它们治疗此类疾病的方法，以及使用这些配体进行受体定位研究的方法。
• SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES
  申请人：Bakthavatchalam Rajagopal

  公开号：US20090286767A1

  公开（公告）日：2009-11-19

  Substituted quinolin-4-ylamine analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了替代的喹啉-4-胺类似物。这些化合物是配体，可以用于体内或体外调节特定受体的活性，并且在治疗与人类、家养伴侣动物和家畜动物的病理性受体激活相关的情况方面特别有用。提供了制药组合物和使用它们治疗这些疾病的方法，以及使用这样的配体进行受体定位研究的方法。
• Discovery of Novel 6,6-Heterocycles as Transient Receptor Potential Vanilloid (TRPV1) Antagonists
  作者：Charles A. Blum、Timothy Caldwell、Xiaozhang Zheng、Rajagopal Bakthavatchalam、Scott Capitosti、Harry Brielmann、Stéphane De Lombaert、Mark T. Kershaw、David Matson、James E. Krause、Daniel Cortright、Marci Crandall、William J. Martin、Beth Ann Murphy、Susan Boyce、A. Brian Jones、Glenn Mason、Wayne Rycroft、Helen Perrett、Rachael Conley、Nicola Burnaby-Davies、Bertrand L. Chenard、Kevin J. Hodgetts

  DOI：10.1021/jm100051g

  日期：2010.4.22

  The transient receptor potential cation channel, subfamily V, member 1 (TRPV1) is a nonselective cation channel that can be activated by a wide range of noxious stimuli, including capsaicin, acid, and heat. Blockade of TRPV1 activation by selective antagonists is under investigation in an attempt to identify novel agents for pain treatment. The design and synthesis of a series of novel TRPV1 antagonists with a variety of different 6,6-heterocyclic cores is described, and an extensive evaluation of the pharmacological and pharmacokinetic properties of a number of these compounds is reported. For example, the 1,8-naphthyridine 52 was characterized as an orally bioavailable and brain penetrant TRPV1 antagonist. In vivo, 52 fully reversed carrageenan-induced thermal hyperalgesia (CITH) in rats and dose-dependently potently reduced complete Freund's adjuvant (CFA) induced chronic inflammatory pain after oral administration.
• US7488740B2
  申请人：——

  公开号：US7488740B2

  公开（公告）日：2009-02-10
• [EN] SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES<br/>[FR] ANALOGUES DE QUINOLINE-4-YLAMINE SUBSTITUEE
  申请人：NEUROGEN CORP

  公开号：WO2005007652A3

  公开（公告）日：2005-03-17