4-乙氧基-5-甲氧基-2-硝基苯甲酸 | 103095-48-3

• 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-乙氧基-5-甲氧基-2-硝基苯甲酸
• 英文名称: 4-ethoxy-5-methoxy-2-nitro-benzoic acid
• 英文别名: 4-Aethoxy-5-methoxy-2-nitro-benzoesaeure；4-Ethoxy-5-methoxy-2-nitrobenzoic acid
• CAS: 103095-48-3
• 化学式: C₁₀H₁₁NO₆
• mdl: MFCD07339246
• 分子量: 241.2
• InChiKey: GPTFBBVXZVBLEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  [5-(1-乙基丙基)-1,3,4-噻二唑-2-基]胺 、 4-乙氧基-5-甲氧基-2-硝基苯甲酸 在 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以46%的产率得到4-ethoxy-5-methoxy-2-nitro-N-(5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl)benzamide
  参考文献：
  名称：

  Lipoprotein Signal Peptidase Inhibitors with Antibiotic Properties Identified through Design of a Robust In Vitro HT Platform

  摘要：

  As resistance to antibiotics increases, the exploration of new targets and strategies to combat pathogenic bacteria becomes more urgent. Ideal protein targets are required for viability across many species, are unique to prokaryotes to limit effects on the host, and have robust assays to quantitate activity and identify inhibitors. Lipoprotein signal peptidase (Lsp) is a transmembrane aspartyl protease required for lipoprotein maturation and comprehensively fits these criteria. Here, we have developed the first in vitro high-throughput assay to monitor proteolysis by Lsp. We employed our high-throughput screen assay against 646,275 compounds to discover inhibitors of Lsp and synthesized a range of analogs to generate molecules with nanomolar half maximal inhibitory concentration values. Importantly, our inhibitors are effective in preventing the growth of E. coli cultures in the presence of outermembrane permeabilizer PMBN and should facilitate development of antibacterial agents with a novel mechanism of action to treat antibiotic-resistant bacteria.

  DOI：

  10.1016/j.chembiol.2017.12.011
• 作为产物：
  描述：

  4-乙氧基-3-甲氧基苯甲醛 在 potassium permanganate 、 palladium on activated charcoal 、 乙醇 、 硝酸 、 溶剂黄146 作用下， 生成 4-乙氧基-5-甲氧基-2-硝基苯甲酸
  参考文献：
  名称：

  Galmarini, Anales des la Asociacion Quimica Argentina, 1951, vol. 39, p. 92,96

  摘要：

  DOI：

文献信息

• 32. Phenolic alkaloids occurring in lycoris radiata
  作者：Shojiro Uyeo、Noboru Yanaihara

  DOI：10.1039/jr9590000172

  日期：——
• JOSHI, VIDYA;CHAUDHARI, R. P.;MOGERA, S. R., INDIAN J. CHEM. B, 28,(1989) N, C. 431-434
  作者：JOSHI, VIDYA、CHAUDHARI, R. P.、MOGERA, S. R.

  DOI：——

  日期：——
• Lipoprotein Signal Peptidase Inhibitors with Antibiotic Properties Identified through Design of a Robust In Vitro HT Platform
  作者：Seiya Kitamura、Anna Owensby、Daniel Wall、Dennis W. Wolan

  DOI：10.1016/j.chembiol.2017.12.011

  日期：2018.3

  As resistance to antibiotics increases, the exploration of new targets and strategies to combat pathogenic bacteria becomes more urgent. Ideal protein targets are required for viability across many species, are unique to prokaryotes to limit effects on the host, and have robust assays to quantitate activity and identify inhibitors. Lipoprotein signal peptidase (Lsp) is a transmembrane aspartyl protease required for lipoprotein maturation and comprehensively fits these criteria. Here, we have developed the first in vitro high-throughput assay to monitor proteolysis by Lsp. We employed our high-throughput screen assay against 646,275 compounds to discover inhibitors of Lsp and synthesized a range of analogs to generate molecules with nanomolar half maximal inhibitory concentration values. Importantly, our inhibitors are effective in preventing the growth of E. coli cultures in the presence of outermembrane permeabilizer PMBN and should facilitate development of antibacterial agents with a novel mechanism of action to treat antibiotic-resistant bacteria.
• Galmarini, Anales des la Asociacion Quimica Argentina, 1951, vol. 39, p. 92,96
  作者：Galmarini

  DOI：——

  日期：——