3-(2-Methoxyethoxy)-4-(4-methylpiperazin-1-yl)aniline | 1132654-38-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-(2-Methoxyethoxy)-4-(4-methylpiperazin-1-yl)aniline
• CAS: 1132654-38-6
• 化学式: C₁₄H₂₃N₃O₂
• 分子量: 265.356
• InChiKey: LXGMYLBWUIWCSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  51
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-Methoxyethoxy)-4-(4-methylpiperazin-1-yl)aniline 、 乙氧基甲叉丙二酸二乙酯 以 乙腈 为溶剂， 生成 Diethyl ({[3-(2-methoxyethoxy)-4-(4-methylpiperazin-1-yl)phenyl]amino}methylene)malonate
  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：

  1-[2-(2-Methoxyethoxy)-4-nitrophenyl]-4-methylpiperazine 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 生成 3-(2-Methoxyethoxy)-4-(4-methylpiperazin-1-yl)aniline
  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