6-(1,4-diazepan-1-yl)-4-[(2,3-dichlorophenyl)amino]-7-ethoxyquinoline-3-carboxamide | 953845-36-8

• 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: 6-(1,4-diazepan-1-yl)-4-[(2,3-dichlorophenyl)amino]-7-ethoxyquinoline-3-carboxamide
• 英文别名: 6-(1,4-diazepan-1-yl)-4-(2,3-dichloroanilino)-7-ethoxyquinoline-3-carboxamide
• CAS: 953845-36-8
• 化学式: C₂₃H₂₅Cl₂N₅O₂
• 分子量: 474.39
• InChiKey: YKMBOTVAHAPLFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  658.7±55.0 °C(Predicted)
• 密度：
  1.347±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  92.5
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-(1,4-diazepan-1-yl)-4-[(2,3-dichlorophenyl)amino]-7-ethoxyquinoline-3-carboxamide 、 丙酮 在 NaHB(OAc)3 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 4-[(2,3-dichlorophenyl)amino]-7-ethoxy-6-(4-isopropyl-1,4-diazepan-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
• 作为产物：
  描述：

  tert-butyl 4-{3-(aminocarbonyl)-4-[(2,3-dichlorophenyl)amino]-7-ethoxyquinolin-6-yl}-1,4-diazepane-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 6-(1,4-diazepan-1-yl)-4-[(2,3-dichlorophenyl)amino]-7-ethoxyquinoline-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

文献信息

• 4-ANILINOQUINOLINE-3-CARBOXAMIDES AS CSF-1R KINASE INHIBITORS
  申请人：AstraZeneca AB

  公开号：EP2010496B1

  公开（公告）日：2010-08-25