N-Cyclooctyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidine-1-yl)quinazolin-4-amine | 1059551-52-8

• 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: N-Cyclooctyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidine-1-yl)quinazolin-4-amine
• 英文别名: N-cyclooctyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
• CAS: 1059551-52-8
• 化学式: C₂₇H₄₁N₅O₂
• 分子量: 467.655
• InChiKey: XUSVOQSQOGMSKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  、 4-吡咯烷-1-基哌啶 以 正丁醇 为溶剂， 以33 mg的产率得到N-Cyclooctyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidine-1-yl)quinazolin-4-amine
  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

文献信息

• Discovery of potent CCR4 antagonists: Synthesis and structure–activity relationship study of 2,4-diaminoquinazolines
  作者：Kazuhiro Yokoyama、Noriko Ishikawa、Susumu Igarashi、Noriyuki Kawano、Kazuyuki Hattori、Takahiro Miyazaki、Shin-ichi Ogino、Yuzo Matsumoto、Makoto Takeuchi、Mitsuaki Ohta

  DOI：10.1016/j.bmc.2008.05.036

  日期：2008.7

  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.