sodium 2-(4-bromophenyl)acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: sodium 2-(4-bromophenyl)acetate
• 英文别名: 4-bromophenylacetic acid sodium salt；Sodium p-bromophenylacetate；sodium;2-(4-bromophenyl)acetate
• 化学式: C₈H₆BrO₂*Na
• 分子量: 237.028
• InChiKey: GOBIABRISFZMIT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.25
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  sodium 2-(4-bromophenyl)acetate 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二甲基亚砜 、 丙酮 为溶剂， 生成 7-(4-(2-(3-(4-bromophenyl)furan-2(5H)-one-4-yloxy)ethyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Novel 3-arylfuran-2(5H)-one-fluoroquinolone hybrid: Design, synthesis and evaluation as antibacterial agent

  摘要：

  3-Arylfuran-2(5H)-one, a novel antibacterial pharmacophore targeting tyrosyl-tRNA synthetase (TyrRS), was hybridized with the clinically used fluoroquinolones to give a series of novel multi-target antimicrobial agents. Thus, twenty seven 3-arylfuran-2(5H)-one-fluoroquinolone hybrids were synthesized and evaluated for their antimicrobial activities. Some of the hybrids exhibited merits from both parents, displaying a broad spectrum of activity against resistant strains including both Gram-negative and Gram-positive bacteria. The most potent compound (11) in antibacterial assay shows MIC50 of 0.11μg/mL against Multiple drug resistant Escherichia coli, being about 51-fold more potent than ciprofloxacin. The enzyme assays reveal that 11 is a potent multi-target inhibitor with IC50 of 1.15±0.07μM against DNA gyrase and 0.12±0.04μM against TyrRS, respectively. Its excellent inhibitory activities against isolated enzymes and intact cells strongly suggest that 11 deserves to further research as a novel antibiotic.

  DOI：

  10.1016/j.bmc.2014.05.018
• 作为产物：
  描述：

  对溴苯乙酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 sodium 2-(4-bromophenyl)acetate
  参考文献：
  名称：

  Novel 3-arylfuran-2(5H)-one-fluoroquinolone hybrid: Design, synthesis and evaluation as antibacterial agent

  摘要：

  3-Arylfuran-2(5H)-one, a novel antibacterial pharmacophore targeting tyrosyl-tRNA synthetase (TyrRS), was hybridized with the clinically used fluoroquinolones to give a series of novel multi-target antimicrobial agents. Thus, twenty seven 3-arylfuran-2(5H)-one-fluoroquinolone hybrids were synthesized and evaluated for their antimicrobial activities. Some of the hybrids exhibited merits from both parents, displaying a broad spectrum of activity against resistant strains including both Gram-negative and Gram-positive bacteria. The most potent compound (11) in antibacterial assay shows MIC50 of 0.11μg/mL against Multiple drug resistant Escherichia coli, being about 51-fold more potent than ciprofloxacin. The enzyme assays reveal that 11 is a potent multi-target inhibitor with IC50 of 1.15±0.07μM against DNA gyrase and 0.12±0.04μM against TyrRS, respectively. Its excellent inhibitory activities against isolated enzymes and intact cells strongly suggest that 11 deserves to further research as a novel antibiotic.

  DOI：

  10.1016/j.bmc.2014.05.018

文献信息

• Synthesis, characterization, structural elucidation, electrochemistry, DNA binding study, micellization behaviour and antioxidant activity of the Cu(II) carboxylate complexes
  作者：Muhammad Iqbal、Amir Karim、Saqib Ali、Muhammad Nawaz Tahir、Manzar Sohail

  DOI：10.1016/j.poly.2019.114310

  日期：2020.3

  Abstract New dimeric paddlewheel copper(II) mixed ligand complexes were synthesized having general formulae [(py)Cu(L)4Cu(py)] (1), [(clpy)Cu(L*)4Cu(clpy)] (2) and [(py)Cu(L°)4Cu(py)] (3) where HL = 4-bromophenylacetic acid, HL* = phenyl acetic acid, HL° = 2-nitrophenylacetic acid, py = pyridine, clpy = 2-chloropyridine and characterized via FT-IR, powder and single crystal XRD, electrochemical solution

  摘要合成了具有[[py] Cu（L）4Cu（py）]（1），[（clpy）Cu（L *）4Cu（clpy）]（2）的新型二聚桨轮铜（II）混合配体配合物。和[（py）Cu（L°）4Cu（py）]（3）其中HL = 4-溴苯基乙酸，HL * =苯基乙酸，HL°= 2-硝基苯基乙酸，py =吡啶，clpy = 2-氯吡啶并通过FT-IR，粉末和单晶XRD，电化学溶液研究和电子自旋共振光谱进行表征。所得结构为二聚体桨轮，其中羧酸酯配体充当两个铜离子之间的桥，吡啶充当顶端配体，从而导致围绕每个铜的方形金字塔形几何形状。通过粉末XRD技术检查配合物的纯度和结晶性质。铜（II）配合物的ESR谱图给出一个尖峰，g值为1.443（1）1.512（2）和1。391（3）。电化学研究表明，扩散控制过程的扩散系数Do值分别为3.68×10-6 cm2s-1（1）和3.63×10-6 cm2s-1（3）。此外，通
• Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of <i>Plasmodium falciparum</i> Enoyl-ACP-reductase (<i>Pf</i>FabI)
  作者：Federica Belluti、Remo Perozzo、Leonardo Lauciello、Francesco Colizzi、Dirk Kostrewa、Alessandra Bisi、Silvia Gobbi、Angela Rampa、Maria Laura Bolognesi、Maurizio Recanatini、Reto Brun、Leonardo Scapozza、Andrea Cavalli

  DOI：10.1021/jm400637m

  日期：2013.10.10

  Malaria, a disease of worldwide significance, is responsible for over one million deaths annually. The liver-stage of Plasmodium’s life cycle is the first, obligatory, but clinically silent step in malaria infection. The P. falciparum type II fatty acid biosynthesis pathway (PfFAS-II) has been found to be essential for complete liver-stage development and has been regarded as a potential antimalarial

  疟疾是一种具有全球意义的疾病，每年造成超过一百万的死亡。疟原虫生命周期的肝脏阶段是疟疾感染的第一个必不可少的但临床上沉默的步骤。在恶性疟原虫的II型脂肪酸生物合成途径（Pf的FAS-II）已被发现是完全肝脏阶段发展至关重要，已被视为用于药物的发展为疟疾预防和根除肝脏阶段潜在抗疟药目标。在本文中，报道了新的基于香豆素的三氯生类似物，并根据其对Pf FAS-II途径酶的抑制力来研究其生物学特性。在测试的化合物中，有7和8显示出对Pf烯酰ACP还原酶（Pf FabI）的最高抑制力，其次是15和3。最后，我们确定了与Pf FabI配合的化合物7和11的晶体结构，以鉴定其结合模式并确认对接模拟的结果。
• SYNTHESIS OF 3,6-DIHALOPHENANTHRENE DERIVATIVES
  作者：Dane W. Scott、Richard A. Bunce、Nicholas F. Materer

  DOI：10.1080/00304940609355993

  日期：2006.6

  equal to the gap between the dimer rows formed by cleavage of a silicon wafer in the (100) direction. Cleavage results in a reconstructed surface containing ordered rows of dimerized surface atoms? There is an approximate 6 A gap between the Si-dimer rows, while each dimer is separated from the next one in the same row by approximately 4 A. The unique chemistry of these dimers has been reviewed by several

  IV 族半导体，特别是 Si(100) 的表面功能化是形成独特表面的一种途径，这可能导致化学传感、生物识别以及分子和光学电子学方面的新应用^。'-^ 我们在该领域的工作 4 -' 需要合成几种 3,6-二卤代菲衍生物。这些化合物是令人感兴趣的，因为卤素之间的距离大约等于由硅晶片在 (100) 方向上的解理形成的二聚体行之间的间隙。解理导致重建的表面包含有序的二聚表面原子行？Si-二聚体行之间有大约 6 A 的间隙，而每个二聚体与同一行中的下一个二聚体相隔大约 4 A。这些二聚体的独特化学已经被几位作者评论过~.'2*~ 3,6-二卤代菲具有刚性骨架和适当的卤素卤素距离，可以选择性地诱导硅二聚体行之间的反应。因此，我们需要使用 3,6-二氯菲、3,6-二溴菲和 3-溴-6 氯菲来检查与 Si(100) 表面的潜在相互作用。3,6dibromophenanthrene 的合成已有描述，化合物的
• 유기 전계발광 소자용 신규 물질
  申请人：MERCK PATENT GMBH 메르크 파텐트 게엠베하(519980656531)

  公开号：KR101573096B1

  公开（公告）日：2015-11-30

  본 발명은 화학식 (1) 의 화합물, 및 이들 화합물이 발광층의 호스트 물질 및/또는 전자-수송 물질로서 사용되는 유기 전계발광 소자, 특히 청색-발광 소자에 관한 것이다.

  这项发明涉及化学式（1）的化合物，以及这些化合物作为发光层的宿主物质和/或电子传输物质用于有机电致发光器件，特别是蓝色发光器件。
• Materials for organic electroluminescent devices
  申请人：Buesing Arne

  公开号：US08993123B2

  公开（公告）日：2015-03-31

  The present invention relates to the compounds of the formula (1) and to organic electroluminescent devices, in particular blue-emitting devices, in which these compounds are used as host material in the emitting layer and/or as electron-transport material.

  本发明涉及公式（1）的化合物以及有机电致发光器件，特别是蓝色发光器件，其中这些化合物被用作发射层的主体材料和/或电子传输材料。