N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide | 1325229-74-0

• 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-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
• CAS: 1325229-74-0
• 化学式: C₂₄H₂₂N₆O₂
• 分子量: 426.478
• InChiKey: MNOFCPKFZHICIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazine-6-carboxylate 在 manganese(IV) oxide 、 lithium aluminium tetrahydride 、 Jones reagent 、 magnesium 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 生成 N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-3-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
  参考文献：
  名称：

  Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors

  摘要：

  Pyrrolo[2,1-f][1,2,4] triazine based inhibitors of p38 alpha have been prepared exploring functional group modifications at the C6 position. Incorporation of aryl and heteroaryl ketones at this position led to potent inhibitors with efficacy in in vivo models of acute and chronic inflammation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.091

文献信息

• Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors
  作者：Alaric J. Dyckman、Tianle Li、Sidney Pitt、Rosemary Zhang、Ding Ren Shen、Kim W. McIntyre、Kathleen M. Gillooly、David J. Shuster、Arthur M. Doweyko、John S. Sack、Kevin Kish、Susan E. Kiefer、John A. Newitt、Hongjian Zhang、Punit H. Marathe、Murray McKinnon、Joel C. Barrish、John H. Dodd、Gary L. Schieven、Katerina Leftheris

  DOI：10.1016/j.bmcl.2011.05.091

  日期：2011.8

  Pyrrolo[2,1-f][1,2,4] triazine based inhibitors of p38 alpha have been prepared exploring functional group modifications at the C6 position. Incorporation of aryl and heteroaryl ketones at this position led to potent inhibitors with efficacy in in vivo models of acute and chronic inflammation. (C) 2011 Elsevier Ltd. All rights reserved.