4-溴-2-硝基苯甲酸乙酯 | 528872-23-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-溴-2-硝基苯甲酸乙酯
• 英文名称: ethyl 4-bromo-2-nitrobenzoate
• CAS: 528872-23-3
• 化学式: C₉H₈BrNO₄
• 分子量: 274.071
• InChiKey: HBBNMJSSYTXTPH-UHFFFAOYSA-N

物化性质

• 沸点：
  340.1±22.0 °C(Predicted)
• 密度：
  1.594±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-溴-2-硝基苯甲酸乙酯 在 溶剂黄146 、 锌 作用下， 以 甲醇 为溶剂， 生成 2-氨基-4-溴苯甲酸乙酯
  参考文献：
  名称：

  Ligand based design of novel histamine H4 receptor antagonists; fragment optimization and analysis of binding kinetics

  摘要：

  The histamine H-4 receptor is a G protein-coupled receptor that has attracted much interest for its role in inflammatory and immunomodulatory functions. In our search for new H4R ligands, a low affinity isoquinoline fragment was optimized to 7-(furan-2-yl)-4-(piperazin-1-yl)quinazolin-2-amine (VUF11489), as a new H4R antagonist. Analysis of its binding kinetics at the human H4R showed this compound to have a very different dissociative half-life in comparison with reference antagonist JNJ7777120. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.104
• 作为产物：
  描述：

  乙醇 、 4-溴-2-硝基苯甲酸 在 硫酸 作用下， 以 甲苯 为溶剂， 反应 20.0h， 生成 4-溴-2-硝基苯甲酸乙酯
  参考文献：
  名称：

  Ligand based design of novel histamine H4 receptor antagonists; fragment optimization and analysis of binding kinetics

  摘要：

  The histamine H-4 receptor is a G protein-coupled receptor that has attracted much interest for its role in inflammatory and immunomodulatory functions. In our search for new H4R ligands, a low affinity isoquinoline fragment was optimized to 7-(furan-2-yl)-4-(piperazin-1-yl)quinazolin-2-amine (VUF11489), as a new H4R antagonist. Analysis of its binding kinetics at the human H4R showed this compound to have a very different dissociative half-life in comparison with reference antagonist JNJ7777120. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.104

文献信息

• Heterocyclic derivatives of glycinamide and their medical use
  申请人：Elliott Leonard Richard

  公开号：US20050043335A1

  公开（公告）日：2005-02-24

  Compounds of the formula (I) are inhibitors of the enzyme Lp-PLA 2? and are of use in therapy, in particular for treating atherosclerosis.

  公式（I）的化合物是Lp-PLA2酶的抑制剂，并可用于治疗，特别是用于治疗动脉粥样硬化。
• HETEROCYCLIC DERIVATIVES OF GLYCINAMIDE AND THEIR MEDICAL USE
  申请人：SmithKline Beecham plc

  公开号：EP1442020A1

  公开（公告）日：2004-08-04
• [EN] HETEROCYCLIC DERIVATIVES OF GLYCINAMIDE AND THEIR MEDICAL USE<br/>[FR] DERIVES HETEROCYCLIQUES DE GLYCINAMIDE ET LEUR UTILISATION MEDICALE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2003042179A1

  公开（公告）日：2003-05-22

  Compounds of the formula (I) are inhibitors of the enzyme Lp-PLA2 and are of use in therapy, in particular for treating atherosclerosis.
• Ligand based design of novel histamine H4 receptor antagonists; fragment optimization and analysis of binding kinetics
  作者：Rogier A. Smits、Herman D. Lim、Tiffany van der Meer、Sebastiaan Kuhne、Karin Bessembinder、Obbe P. Zuiderveld、Maikel Wijtmans、Iwan J.P. de Esch、Rob Leurs

  DOI：10.1016/j.bmcl.2011.10.104

  日期：2012.1

  The histamine H-4 receptor is a G protein-coupled receptor that has attracted much interest for its role in inflammatory and immunomodulatory functions. In our search for new H4R ligands, a low affinity isoquinoline fragment was optimized to 7-(furan-2-yl)-4-(piperazin-1-yl)quinazolin-2-amine (VUF11489), as a new H4R antagonist. Analysis of its binding kinetics at the human H4R showed this compound to have a very different dissociative half-life in comparison with reference antagonist JNJ7777120. (C) 2011 Elsevier Ltd. All rights reserved.
• Efficient, Scalable Syntheses of Linker Molecules for Metal-Organic Frameworks
  作者：Mats Tilset、Knut Hylland、Sigurd Øien-Ødegaard、Karl Lillerud

  DOI：10.1055/s-0034-1381039

  日期：——

  Efficient synthesis protocols for five linkers of immediate interest for use in metal-organic frameworks (MOFs) are presented. The importance of scalable, cost-effective, high-yield processes with simple purifications and few steps is emphasized. The protocols allow for the efficient synthesis of biphenyl-, terphenyl-, and quaterphenyl-based linkers. Four of the linkers have been structurally characterized.