4-(2,4-Difluorophenylamino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide | 1132654-37-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-(2,4-Difluorophenylamino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
• 英文别名: 4-(2,4-difluoroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
• CAS: 1132654-37-5
• 化学式: C₂₂H₂₃F₂N₅O₂
• 分子量: 427.454
• InChiKey: LRFIHKNBXARJMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.7
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 sodium methylate 、 formamide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(2,4-Difluorophenylamino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
  参考文献：
  名称：

  3-Amido-4-anilinoquinolines as CSF-1R kinase inhibitors 2: Optimization of the PK profile

  摘要：

  The optimization of compounds from the 3-amido-4-anilinoquinolines series of CSF-1R kinase inhibitors is described. The series has excellent activity and kinase selectivity. Excellent physical properties and rodent PK profiles were achieved through the introduction of cyclic amines at the quinoline 6-position. Compounds with good activity in a mouse PD model measuring inhibition of pCSF-1R were identified. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.044