4-({5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}carbamoyl)piperazine-1-carboxylic acid tert-butyl ester | 1042431-75-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-({5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}carbamoyl)piperazine-1-carboxylic acid tert-butyl ester
• CAS: 1042431-75-3
• 化学式: C₂₆H₃₁N₅O₆
• 分子量: 509.562
• InChiKey: LDJGEZXGMGDBBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  37.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  115.35
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-({5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}carbamoyl)piperazine-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以17%的产率得到N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]-pyridin-2-yl}piperazine-1-carboxamide
  参考文献：
  名称：

  Structure activity relationships of quinoline-containing c-Met inhibitors

  摘要：

  A series of quinoline-containing c-Met inhibitors were prepared and studied. Chemistry was developed to introduce a pyridyl moiety onto the 2-aryl ring present in a lead molecule which mitigated the potential for quinone formation relative to the original compound. The study also assessed the importance of an acylthiourea moiety present in the lead structure for effective binding to the c-Met protein ATP site. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.08.011
• 作为产物：
  描述：

  、 N-Boc-哌嗪 以 二氯甲烷 为溶剂， 反应 12.0h， 以60 mg的产率得到4-({5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}carbamoyl)piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Structure activity relationships of quinoline-containing c-Met inhibitors

  摘要：

  A series of quinoline-containing c-Met inhibitors were prepared and studied. Chemistry was developed to introduce a pyridyl moiety onto the 2-aryl ring present in a lead molecule which mitigated the potential for quinone formation relative to the original compound. The study also assessed the importance of an acylthiourea moiety present in the lead structure for effective binding to the c-Met protein ATP site. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.08.011