1-(3-溴苯基)-2-吡啶-4-基-乙酮 | 208182-75-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3-溴苯基)-2-吡啶-4-基-乙酮
• 英文名称: 1-(3-bromophenyl)-2-pyridin-4-yl-ethanone
• 英文别名: 1-(3-bromophenyl)-2-pyridin-4-ylethanone；1-(3-bromophenyl)-2-(4-pyridyl)ethanone；1-(3-Bromophenyl)-2-(pyridin-4-yl)ethan-1-one
• CAS: 208182-75-6
• 化学式: C₁₃H₁₀BrNO
• 分子量: 276.132
• InChiKey: JFIWJIOSMCUYMH-UHFFFAOYSA-N

物化性质

• 沸点：
  409.1±30.0 °C(Predicted)
• 密度：
  1.445±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-溴苯基)-2-吡啶-4-基-乙酮 在 selenium(IV) oxide 、 溶剂黄146 作用下， 以50%的产率得到1-(3-bromophenyl)-2-pyridin-4-ylethane-1,2-dione
  参考文献：
  名称：

  Substituted Imidazoles as Glucagon Receptor Antagonists

  摘要：

  A modestly active, nonselective triarylimidazole lead was optimized for binding affinity with the human glucagon receptor. This led to the identification of a 2- and/or 4-alkyl or alkyloxy substituent on the imidazole C4-aryl group as a structural determinant for significant enhancement in binding with the glucagon receptor (e.g., 41, IC50 = 0.053 muM) and selectivity (> 1000x) over p38 MAP kinase in this class of compounds. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00498-x
• 作为产物：
  描述：

  4-甲基吡啶 、 3-溴苯甲酸乙酯 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以82%的产率得到1-(3-溴苯基)-2-吡啶-4-基-乙酮
  参考文献：
  名称：

  [EN] BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS
  [FR] PYRAZOLES BICYCLIQUES EN TANT QU'INHIBITEURS DE PROTÉINES KINASES

  摘要：

  公开了规范中定义的式(I)的3,4-二芳基-双环吡唑衍生物及其药学上可接受的盐，其制备方法和包含它们的药物组合物；发明的化合物可能在治疗中对治疗与蛋白激酶活性失调相关的疾病，如癌症，具有用处。

  公开号：

  WO2010070060A1

文献信息

• Process for making substituted pyrazoles
  申请人：G.D. Searle & Company

  公开号：US06342608B1

  公开（公告）日：2002-01-29

  This invention relates to a novel process of preparing selected 5-substituted pyrazoles useful as p38 kinase and COX-2 inhibitors.

  这项发明涉及一种新颖的工艺，用于制备作为p38激酶和COX-2抑制剂有用的选定的5-取代吡唑。
• [EN] 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS<br/>[FR] 3,4-DIARYLPYRAZOLES UTILISÉS COMME INHIBITEURS DE PROTÉINE KINASE
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2010010154A1

  公开（公告）日：2010-01-28

  3,4-diarylpyrazole derivatives of formula (I) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  公开了规范中定义的式(I)的3,4-二芳基吡唑衍生物及其药用盐，其制备方法和包含它们的药物组合物；发明的化合物可能在治疗中对治疗与蛋白激酶活性失调相关的疾病，如癌症，具有用处。
• [EN] RAF KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA KINASE RAF
  申请人：SELEXAGEN THERAPEUTICS INC

  公开号：WO2011085269A1

  公开（公告）日：2011-07-14

  Described herein are compounds, pharmaceutical compositions and methods for the inhibition of RAF kinae mediated signaling. Said compounds, pharmaceutical compositions and methods have utility in the treatment of human disease and disorders.

  本文描述了用于抑制RAF激酶介导信号的化合物、药物组合物和方法。这些化合物、药物组合物和方法在治疗人类疾病和疾病方面具有实用性。
• 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS
  申请人：Pulici Maurizio

  公开号：US20110144068A1

  公开（公告）日：2011-06-16

  3,4-diarylpyrazole derivatives of formula (I) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  本发明揭示了式(I)中定义的3,4-二芳基吡唑衍生物及其药学上可接受的盐，以及它们的制备方法和包含它们的制药组合物；本发明的化合物可能在治疗与蛋白激酶活性失调有关的疾病，如癌症中有用。
• BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS
  申请人：Pulici Maurizio

  公开号：US20110257165A1

  公开（公告）日：2011-10-20

  3,4-diaryl-bicyclicpyrazole derivatives of formula (I) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  本文揭示了式（I）中定义的3,4-二芳基-双环吡唑衍生物及其药学上可接受的盐，以及其制备方法和包含它们的制药组合物；本发明的化合物可能在治疗与蛋白激酶活性失调相关的疾病，如癌症方面有用。