2-溴-1-(1-苯基-1H-吡唑-4-基)乙酮 | 91062-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-溴-1-(1-苯基-1H-吡唑-4-基)乙酮
• 英文名称: 1-Phenyl-4-(2-bromoacetyl)pyrazole
• 英文别名: 2-bromo-1-(1-phenyl-1H-pyrazol-4-yl)-ethanone；2-Brom-1-(1-phenyl-1H-pyrazol-4-yl)-aethanon；4-Bromacetyl-1-phenyl-pyrazol；2-bromo-1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-one；2-bromo-1-(1-phenylpyrazol-4-yl)ethanone
• CAS: 91062-67-8
• 化学式: C₁₁H₉BrN₂O
• mdl: MFCD11182399
• 分子量: 265.109
• InChiKey: SEYIRGDHIYBCBA-UHFFFAOYSA-N

物化性质

• 沸点：
  361.8±17.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-溴-1-(1-苯基-1H-吡唑-4-基)乙酮 在 三甲基铝 、 氯化铵 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 7.0h， 生成 5-Methylsulfanyl-4-[4-(1-phenyl-1H-pyrazol-4-yl)-thiazol-2-yl]-thiophene-2-carboxamidine
  参考文献：
  名称：

  A novel series of potent and selective small molecule inhibitors of the complement component C1s

  摘要：

  Activation of the classical pathway of complement has been implicated in disease states such as hereditary angioedema, ischemia-reperfusion injury and acute transplant rejection. The trypsin-like serine protease C1s represents a pivotal upstream point of control in the classical pathway of complement activation and is therefore likely to be a useful target in the therapeutic intervention of these disease states. A series of thiopheneamidine-based inhibitors of C1s has been optimized to give a 70 nM inhibitor that inhibits the classical pathway of complement activation in vitro. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.034
• 作为产物：
  描述：

  1-(1-苯基-1H-吡唑-4-基)乙酮 在 溴 、 溶剂黄146 作用下， 生成 2-溴-1-(1-苯基-1H-吡唑-4-基)乙酮
  参考文献：
  名称：

  Severini, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1891, vol. <4> 7 II, p. 377

  摘要：

  DOI：

文献信息

• Antiinflammatory 1-phenylpyrazole-4-heteroarylalkanoic acids
  作者：Carl J. Goddard

  DOI：10.1002/jhet.5570280625

  日期：1991.10

  A series of antiinflammatory agents, based on the structural integration of fentiazac and lonazolac, was synthesized.

  基于fentiazac和lonazolac的结构整合，合成了一系列抗炎药。
• A novel series of potent and selective small molecule inhibitors of the complement component C1s
  作者：Nalin L. Subasinghe、Farah Ali、Carl R. Illig、M. Jonathan Rudolph、Scott Klein、Ehab Khalil、Richard M. Soll、Roger F. Bone、John C. Spurlino、Renee L. DesJarlais、Carl S. Crysler、Maxwell D. Cummings、Philip E. Morris、John M. Kilpatrick、Y. Sudhakara Babu

  DOI：10.1016/j.bmcl.2004.04.034

  日期：2004.6

  Activation of the classical pathway of complement has been implicated in disease states such as hereditary angioedema, ischemia-reperfusion injury and acute transplant rejection. The trypsin-like serine protease C1s represents a pivotal upstream point of control in the classical pathway of complement activation and is therefore likely to be a useful target in the therapeutic intervention of these disease states. A series of thiopheneamidine-based inhibitors of C1s has been optimized to give a 70 nM inhibitor that inhibits the classical pathway of complement activation in vitro. (C) 2004 Elsevier Ltd. All rights reserved.
• Severini, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1891, vol. <4> 7 II, p. 377
  作者：Severini

  DOI：——

  日期：——