1-[3-[[4-(Cycloheptylamino)-6,7-dimethoxyquinazolin-2-yl]amino]propyl]pyrrolidin-2-one | 1059551-83-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-[3-[[4-(Cycloheptylamino)-6,7-dimethoxyquinazolin-2-yl]amino]propyl]pyrrolidin-2-one
• CAS: 1059551-83-5
• 化学式: C₂₄H₃₅N₅O₃
• 分子量: 441.574
• InChiKey: YGDMNISSNPRRKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  88.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(3-氨基丙基)-2-吡咯烷酮 、 2-chloro-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine 以 正丁醇 为溶剂， 以4.9 mg的产率得到1-[3-[[4-(Cycloheptylamino)-6,7-dimethoxyquinazolin-2-yl]amino]propyl]pyrrolidin-2-one
  参考文献：
  名称：

  Discovery of potent CCR4 antagonists: Synthesis and structure–activity relationship study of 2,4-diaminoquinazolines

  摘要：

  A new series of quinazolines that function as CCR4 antagonists were discovered during the screening of our corporate compound libraries. Subsequent compound optimization elucidated the structure-activity relationships and led the identification of 2-(1,4'-bipiperidine-10-yl)-N-cycloheptyl-6,7-dimethoxyquinazolin-4- amine 14a, which showed potent inhibition in the [S-35] GTPcS-binding assay (IC50 = 18 nM). This compound also inhibited the chemotaxis of human and mouse CCR4-expressing cells ( IC50 = 140 nM, 39 nM). (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.05.036