N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoxaline-2-carboxamide | 1133815-86-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoxaline-2-carboxamide
• CAS: 1133815-86-7
• 化学式: C₂₄H₁₇F₃N₄O₂
• 分子量: 450.42
• InChiKey: HDBRBTGPQSFYFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(3-氨基-4-甲基苯基)-3-(三氟甲基)苯甲酰胺 、 2-喹喔啉羧酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]quinoxaline-2-carboxamide
  参考文献：
  名称：

  Identification of amidoheteroaryls as potent inhibitors of mutant (V600E) B-Raf kinase with in vivo activity

  摘要：

  A series of amidoheteroaryl compounds were designed and synthesized as inhibitors of B-Raf kinase. Several compounds from the series show excellent potency in biochemical, phenotypic and mode of action cellular assays. Potent examples from the series have also demonstrated good plasma exposure following an oral dose in rodents and activity against the Ras-Raf pathway in tumor bearing mice. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.053

文献信息

• Identification of amidoheteroaryls as potent inhibitors of mutant (V600E) B-Raf kinase with in vivo activity
  作者：Paul D. Lyne、Brian Aquila、Donald J. Cook、Les A. Dakin、Jay Ezhuthachan、Stephanos Ioannidis、Timothy Pontz、Mei Su、Qing Ye、Xiaolan Zheng、Michael H. Block、Scott Cowen、Tracy L. Deegan、John W. Lee、David A. Scott、Dominique Custeau、Lisa Drew、Srinivasu Poondru、Minhui Shen、Allan Wu

  DOI：10.1016/j.bmcl.2008.10.053

  日期：2009.2

  A series of amidoheteroaryl compounds were designed and synthesized as inhibitors of B-Raf kinase. Several compounds from the series show excellent potency in biochemical, phenotypic and mode of action cellular assays. Potent examples from the series have also demonstrated good plasma exposure following an oral dose in rodents and activity against the Ras-Raf pathway in tumor bearing mice. (C) 2008 Elsevier Ltd. All rights reserved.