Tert-butyl 4-[5-(6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate | 681278-27-3

• 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-[5-(6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate
• CAS: 681278-27-3
• 化学式: C₂₃H₂₉N₃O₅
• 分子量: 427.5
• InChiKey: FZWQOQDKTBLARF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[5-(6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate 在 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 4-二甲氨基吡啶 、 二甲基硫 、 sodium methylate 、 lithium perchlorate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 Tert-butyl 4-[5-(6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]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.
• Oxazolidinones as novel human CCR8 antagonists
  作者：Jian Jin、Yonghui Wang、Feng Wang、Jeffery K. Kerns、Victoria M. Vinader、Ashley P. Hancock、Matthew J. Lindon、Graeme I. Stevenson、Dwight M. Morrow、Parvathi Rao、Cuc Nguyen、Victoria J. Barrett、Chris Browning、Guido Hartmann、David P. Andrew、Henry M. Sarau、James J. Foley、Anthony J. Jurewicz、James A. Fornwald、Andy J. Harker、Michael L. Moore、Ralph A. Rivero、Kristen E. Belmonte、Helen E. Connor

  DOI：10.1016/j.bmcl.2006.12.076

  日期：2007.3

  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.