5-Amino-1-cyclopropyl-6,8-difluoro-7-(2-morpholin-4-ylethylamino)-4-oxoquinoline-3-carboxylic acid | 1337541-21-5

• 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: 5-Amino-1-cyclopropyl-6,8-difluoro-7-(2-morpholin-4-ylethylamino)-4-oxoquinoline-3-carboxylic acid
• CAS: 1337541-21-5
• 化学式: C₁₉H₂₂F₂N₄O₄
• 分子量: 408.405
• InChiKey: MWPIDBFBYDPDMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-环丙基-5-酰胺-6,7,8-三氟-1,4-二氢-4-氧代-3-喹啉羧酸乙酯 在 硫酸 、 溶剂黄146 、 三乙胺 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 3.0h， 生成 5-Amino-1-cyclopropyl-6,8-difluoro-7-(2-morpholin-4-ylethylamino)-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationship of 4-quinolone-3-carboxylic acid based inhibitors of glycogen synthase kinase-3β

  摘要：

  The synthesis, GSK-3 beta inhibitory activity, and anti-microbial activity of bicyclic and tricyclic derivatives of the 5,7-diamino-6-fluoro-4-quinolone-3-carboxylic acid scaffold were studied. Kinase selectivity profiling indicated that members of this class were potent and highly selective GSK-3 inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.073

文献信息

• Synthesis and structure–activity relationship of 4-quinolone-3-carboxylic acid based inhibitors of glycogen synthase kinase-3β
  作者：Oana M. Cociorva、Bei Li、Tyzoon Nomanbhoy、Qiang Li、Ayako Nakamura、Kai Nakamura、Masahiro Nomura、Kyoko Okada、Shigeki Seto、Kazuhiro Yumoto、Marek Liyanage、Melissa C. Zhang、Arwin Aban、Brandon Leen、Anna Katrin Szardenings、Jonathan S. Rosenblum、John W. Kozarich、Yasushi Kohno、Kevin R. Shreder

  DOI：10.1016/j.bmcl.2011.07.073

  日期：2011.10

  The synthesis, GSK-3 beta inhibitory activity, and anti-microbial activity of bicyclic and tricyclic derivatives of the 5,7-diamino-6-fluoro-4-quinolone-3-carboxylic acid scaffold were studied. Kinase selectivity profiling indicated that members of this class were potent and highly selective GSK-3 inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.