Tert-butyl 4-[[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]amino]piperidine-1-carboxylate | 681278-26-2

• 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: Tert-butyl 4-[[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]amino]piperidine-1-carboxylate
• CAS: 681278-26-2
• 化学式: C₂₂H₃₁N₃O₄
• 分子量: 401.506
• InChiKey: NRIYTVWJQFKTED-UHFFFAOYSA-N

物化性质

• 沸点：
  580.8±50.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  83.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]amino]piperidine-1-carboxylate 在 4-二甲氨基吡啶 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 5-(6-methoxy-quinolin-4-yl)-3-piperidin-4-yl-oxazolidin-2-one
  参考文献：
  名称：

  Oxazolidinones as novel human CCR8 antagonists

  摘要：

  High-throughput screening of the corporate compound collection led to the discovery of a novel series of N-substituted-5-aryl-oxazolidinones as potent human CCR8 antagonists. The synthesis, structure-activity relationships, and optimization of the series that led to the identification of SB-649701 (1a), are described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.076
• 作为产物：
  描述：

  6-甲氧基-4-喹啉甲醛 在 二甲基硫 、 sodium methylate 、 lithium perchlorate 作用下， 以 乙腈 为溶剂， 生成 Tert-butyl 4-[[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]amino]piperidine-1-carboxylate
  参考文献：
  名称：

  Oxazolidinones as novel human CCR8 antagonists

  摘要：

  High-throughput screening of the corporate compound collection led to the discovery of a novel series of N-substituted-5-aryl-oxazolidinones as potent human CCR8 antagonists. The synthesis, structure-activity relationships, and optimization of the series that led to the identification of SB-649701 (1a), are described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.076

文献信息

• [EN] COMPOUNDS<br/>[FR] COMPOSES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004032856A2

  公开（公告）日：2004-04-22

  Oxazolidin-2-one of the formula as further defined herein are useful for inhibiting the chemokine receptor nominated CCR8, resulting in treatment of diseases such as asthma and the like.