4-Hydroxy-6-nitro-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid methyl ester | 479622-00-9

• 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: 4-Hydroxy-6-nitro-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid methyl ester
• 英文别名: methyl 4-hydroxy-6-nitro-2-oxo-1H-quinoline-3-carboxylate
• CAS: 479622-00-9
• 化学式: C₁₁H₈N₂O₆
• 分子量: 264.194
• InChiKey: WQKHECKVNXTJMB-UHFFFAOYSA-N

物化性质

• 沸点：
  535.5±50.0 °C(Predicted)
• 密度：
  1.605±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  8-(4-Aminophenoxy)octanoic acid 、 4-Hydroxy-6-nitro-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid methyl ester 以 xylene 为溶剂， 生成 8-{4-[(4-Hydroxy-6-nitro-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-amino]-phenoxy}-octanoic acid
  参考文献：
  名称：

  Design, synthesis and In vitro evaluation of potent, novel, small molecule inhibitors of plasminogen activator inhibitor-1

  摘要：

  We have synthesized and evaluated a series of tetramic acid-based and hydroxvquinolinone-based inhibitors of plasminogen activator inhibitor-1 (PAI-1). These studies resulted in the identification of several compounds which showed excellent potency against PAI-1. The design, synthesis and SAR of these compounds are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00078-1
• 作为产物：
  描述：

  2-氨基-5-硝基苯甲酸甲酯 在 sodium methylate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 4-Hydroxy-6-nitro-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Design, synthesis and In vitro evaluation of potent, novel, small molecule inhibitors of plasminogen activator inhibitor-1

  摘要：

  We have synthesized and evaluated a series of tetramic acid-based and hydroxvquinolinone-based inhibitors of plasminogen activator inhibitor-1 (PAI-1). These studies resulted in the identification of several compounds which showed excellent potency against PAI-1. The design, synthesis and SAR of these compounds are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00078-1

文献信息

• Design, synthesis and In vitro evaluation of potent, novel, small molecule inhibitors of plasminogen activator inhibitor-1
  作者：Adrian Folkes、S.David Brown、Lynne E. Canne、Jocelyn Chan、Erin Engelhardt、Sergey Epshteyn、Richard Faint、Julian Golec、Art Hanel、Patrick Kearney、James W. Leahy、Morrison Mac、David Matthews、Michael P. Prisbylla、Jason Sanderson、Reyna J. Simon、Zerom Tesfai、Nigel Vicker、Shouming Wang、Robert R. Webb、Peter Charlton

  DOI：10.1016/s0960-894x(02)00078-1

  日期：2002.4

  We have synthesized and evaluated a series of tetramic acid-based and hydroxvquinolinone-based inhibitors of plasminogen activator inhibitor-1 (PAI-1). These studies resulted in the identification of several compounds which showed excellent potency against PAI-1. The design, synthesis and SAR of these compounds are described. (C) 2002 Elsevier Science Ltd. All rights reserved.