sodium-3-bromophenylacetate | 1007523-27-4

• 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-3-bromophenylacetate
• 英文别名: Sodium;2-(3-bromophenyl)acetate
• CAS: 1007523-27-4
• 化学式: C₈H₆BrO₂*Na
• 分子量: 237.028
• InChiKey: OXIRHLNOXNUGSV-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-3-bromophenylacetate 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
  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：

  3-溴苯乙酸 在 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 生成 sodium-3-bromophenylacetate
  参考文献：
  名称：

  有机锡(IV)羧酸盐的设计、理化确认、单晶结构以及抗菌和抗癌潜力的探索

  摘要：

  在本文中，我们报道了一系列由 3-溴苯乙酸钠 (NaL) 与 (CH 3 ) 反应衍生的二有机锡 (IV) 羧酸盐络合物 (1–4) 2 SnCl 2 , (C 4 H 9 ) 2 SnCl 2 , (CH 3 ) 3 SnCl 和 (C 4 H 9 ) 3 SnCl 在干燥甲苯中回流8小时。通过元素分析仪、FTIR、NMR 和单晶 XRD 分析所需的有机锡 (IV) 衍生物。针对测试菌株的抗菌数据遵循以下顺序：2 > 4 > 3 > 1 > HL。评估合成化合物对肺癌细胞系（A549）和正常肺成纤维细胞系（MRC-5）的抗癌潜力，发现4对A549具有高度细胞毒性，而HL和1对MRC没有细胞毒性。 -5，无论是在较低还是较高浓度下。

  DOI：

  10.1016/j.molstruc.2023.137306

文献信息

• Substituted tetraarylbenzenes
  申请人：Anémian Rémi Manouk

  公开号：US08906893B2

  公开（公告）日：2014-12-09

  The present invention relates to substances, to electroluminescent device comprising these substances, and to the use thereof.

  这项发明涉及物质，包括这些物质的电致发光器件，以及其使用。
• Novel 3-arylfuran-2(5H)-one-fluoroquinolone hybrid: Design, synthesis and evaluation as antibacterial agent
  作者：Xu-Dong Wang、Wei Wei、Peng-Fei Wang、Yun-Tao Tang、Rui-Cheng Deng、Biao Li、Sha-Sha Zhou、Jing-Wen Zhang、Lei Zhang、Zhu-Ping Xiao、Hui Ouyang、Hai-Liang Zhu

  DOI：10.1016/j.bmc.2014.05.018

  日期：2014.7

  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.
• Design, physicochemical confirmation, single crystal structures as well as exploration of antibacterial and anticancer potential of organotin(IV) carboxylates
  作者：Roshni Gul、Niaz Muhammad、Muhammad Sirajuddin、Awal Noor、Nikolay Tumanov、Johan Wouters、Abdelbasset Chafik、Kübra Solak、Ahmet Mavi、Shaukat Shujah、Saqib Ali、Gul Shahzada Khan、Sadaf Qayyum

  DOI：10.1016/j.molstruc.2023.137306

  日期：2024.3

  In this article, we are reporting a series of di-and tri-organotin(IV) carboxylate complexes (1–4) derived from the reaction of sodium-3-bromophenylacetate (NaL) with (CH3)2SnCl2, (C4H9)2SnCl2, (CH3)3SnCl and (C4H9)3SnCl in dried toluene while refluxing for 8 h. The desired organotin(IV) derivative were analyzed by elemental analyzer, FTIR, NMR and single crystal XRD. The antimicrobial data against

  在本文中，我们报道了一系列由 3-溴苯乙酸钠 (NaL) 与 (CH 3 ) 反应衍生的二有机锡 (IV) 羧酸盐络合物 (1–4) 2 SnCl 2 , (C 4 H 9 ) 2 SnCl 2 , (CH 3 ) 3 SnCl 和 (C 4 H 9 ) 3 SnCl 在干燥甲苯中回流8小时。通过元素分析仪、FTIR、NMR 和单晶 XRD 分析所需的有机锡 (IV) 衍生物。针对测试菌株的抗菌数据遵循以下顺序：2 > 4 > 3 > 1 > HL。评估合成化合物对肺癌细胞系（A549）和正常肺成纤维细胞系（MRC-5）的抗癌潜力，发现4对A549具有高度细胞毒性，而HL和1对MRC没有细胞毒性。 -5，无论是在较低还是较高浓度下。