4-bromo-3-(3-nitrophenyl)-1H-pyrazole | 945865-24-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-bromo-3-(3-nitrophenyl)-1H-pyrazole
• 英文别名: 4-bromo-5-(3-nitrophenyl)-1H-pyrazole
• CAS: 945865-24-7
• 化学式: C₉H₆BrN₃O₂
• 分子量: 268.07
• InChiKey: KRDASHRLAWLYNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-bromo-3-(3-nitrophenyl)-1H-pyrazole 、 碘乙烷 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.0h， 以81%的产率得到4-bromo-1-ethyl-3-(3-nitrophenyl)-1H-pyrazole
  参考文献：
  名称：

  Knowledge-based design of 7-azaindoles as selective B-Raf inhibitors

  摘要：

  The synthesis of a 7-azaindole series of novel, potent B-Raf kinase inhibitors using knowledge-based design was carried out. Compound 6h exhibits not only excellent potency in both the enzyme assay (IC50 = 2.5 nM) and the cellular assay (IC50 = 63 nM), but also has an outstanding selectivity profile against other kinases. (C) 2008 Elsevier Ltd. All Fights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.019

文献信息

• Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors
  申请人：Tang Jun

  公开号：US20090018156A1

  公开（公告）日：2009-01-15

  The present invention provides pyrrolo pyridine compounds, compositions containing the same, as well as processes for the preparation and their use as pharmaceutical agents.

  本发明提供吡咯吡啶化合物，含有这些化合物的组合物，以及制备这些化合物的过程和它们作为药物的用途。
• WO2008/67119
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2008067119A2

  公开（公告）日：2008-06-05

  [EN] The present invention relates to azaindole derivatives, compositions and medicaments containing the same, as well as processes for the preparation and use of such compounds, compositions and medicaments. Such azaindole derivatives are potentially useful in the treatment of diseases associated with inappropriate c-Met activity and/or B-Raf kinase activity. A compound of Formula (I):
  [FR] La présente invention concerne des dérivés azaindoliques de formule (I), des compositions et des médicaments contenant ces composés, ainsi que des procédés de préparation et d'utilisation desdits composés, compositions et médicaments. Ces dérivés azaindoliques peuvent être utiles pour traiter des maladies associées à une activité inappropriée de c-Met et/ou de kinase B-Raf.
• Knowledge-based design of 7-azaindoles as selective B-Raf inhibitors
  作者：Jun Tang、Toshihiro Hamajima、Masato Nakano、Hideyuki Sato、Scott H. Dickerson、Karen E. Lackey

  DOI：10.1016/j.bmcl.2008.07.019

  日期：2008.8

  The synthesis of a 7-azaindole series of novel, potent B-Raf kinase inhibitors using knowledge-based design was carried out. Compound 6h exhibits not only excellent potency in both the enzyme assay (IC50 = 2.5 nM) and the cellular assay (IC50 = 63 nM), but also has an outstanding selectivity profile against other kinases. (C) 2008 Elsevier Ltd. All Fights reserved.