3-(2-(6-Methylpyridin-2-yl)quinazolin-4-ylamino)benzamide | 1159656-61-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(2-(6-Methylpyridin-2-yl)quinazolin-4-ylamino)benzamide
• 英文别名: 3-[[2-(6-methylpyridin-2-yl)quinazolin-4-yl]amino]benzamide
• CAS: 1159656-61-7
• 化学式: C₂₁H₁₇N₅O
• 分子量: 355.399
• InChiKey: GTNLXSLOAUBPKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  93.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-chloro-2-(6-methyl-pyridin-2-yl)-quinazoline 、 3-氨基苯甲酰胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 3-(2-(6-Methylpyridin-2-yl)quinazolin-4-ylamino)benzamide
  参考文献：
  名称：

  Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors

  摘要：

  Starting from quinazoline 3a, we designed potent and selective ALK5 inhibitors over p38MAP kinase from a rational drug design approach based on co-crystal structures in the human ALK5 kinase domain. The quinazoline 3d exhibited also in vivo activity in an acute rat model of DMN-induced liver fibrosis when administered orally at 5 mg/kg (bid). (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.087

文献信息

• Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors
  作者：F. Gellibert、M.-H. Fouchet、V.-L. Nguyen、R. Wang、G. Krysa、A.-C. de Gouville、S. Huet、N. Dodic

  DOI：10.1016/j.bmcl.2009.02.087

  日期：2009.4

  Starting from quinazoline 3a, we designed potent and selective ALK5 inhibitors over p38MAP kinase from a rational drug design approach based on co-crystal structures in the human ALK5 kinase domain. The quinazoline 3d exhibited also in vivo activity in an acute rat model of DMN-induced liver fibrosis when administered orally at 5 mg/kg (bid). (c) 2009 Elsevier Ltd. All rights reserved.