JMC-4

• 常用名: JMC-4
• 英文名: JMC-4
• CAS号: 93261-39-3
• 分子量: 338.27
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₇H₁₀N₂O₆
• 熔点: N/A
• 闪点: N/A

JMC-4用途

3,5-二硝基苯甲酸1-萘基是一种有效的5-脂氧合酶抑制剂,5-LOX和mPGES-1的IC50值分别为1.04µM和3.6µM。3,5-二硝基苯甲酸1-萘基对人全血(HWB)测定具有较强的抑制活性,IC50值为8.6μM。3,5-二硝基苯甲酸1-萘基可用于炎症研究[1]。

JMC-4名称

• 英文名: 1-Naphthyl 3,5-dinitrobenzoate

JMC-4生物活性

• 描述: 3,5-二硝基苯甲酸1-萘基是一种有效的5-脂氧合酶抑制剂,5-LOX和mPGES-1的IC50值分别为1.04µM和3.6µM。3,5-二硝基苯甲酸1-萘基对人全血(HWB)测定具有较强的抑制活性,IC50值为8.6μM。3,5-二硝基苯甲酸1-萘基可用于炎症研究[1]。
• 相关类别:
  研究领域 >> 炎症/免疫
  信号通路 >> 代谢酶/蛋白酶 >> 5脂氧合酶
• 参考文献:

  [1]. Wu Y, et, al. Dynamic modeling of human 5-lipoxygenase-inhibitor interactions helps to discover novel inhibitors. J Med Chem. 2012 Mar 22;55(6):2597-605.

JMC-4物理化学性质

• 分子式: C₁₇H₁₀N₂O₆
• 分子量: 338.27
• 精确质量: 338.05400
• PSA: 117.94000
• LogP: 4.92180
• InChIKey: WYKPSINHJUWDHK-UHFFFAOYSA-N
• SMILES: O=C(Oc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
• 储存条件: -20°C，密闭，干燥

JMC-4靶点实验

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实验名称：Inhibition of epoxide hydrolase activity of human recombinant leukotriene A4 hydrolas... 来源：ChEMBL 靶标：Leukotriene A-4 hydrolase External Id：CHEMBL2167300

实验名称：Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 min... 来源：ChEMBL 靶标：Polyunsaturated fatty acid 5-lipoxygenase External Id：CHEMBL3240356

实验名称：Inhibition of human 5-LOX in A23187-induced human whole blood assessed as reduction i... 来源：ChEMBL 靶标：Polyunsaturated fatty acid 5-lipoxygenase External Id：CHEMBL2167301

实验名称：Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB... 来源：ChEMBL 靶标：Polyunsaturated fatty acid 5-lipoxygenase External Id：CHEMBL3240357

实验名称：Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incubated... 来源：ChEMBL 靶标：Polyunsaturated fatty acid 5-lipoxygenase External Id：CHEMBL2167302

实验名称：Inhibition of purified COX1 assessed as formation of oxidized TMPD during reduction o... 来源：ChEMBL 靶标：Prostaglandin G/H synthase 1 External Id：CHEMBL2167296

实验名称：Inhibition of purified COX2 assessed as formation of oxidized TMPD during reduction o... 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL2167295

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JMC-4英文别名

• 3,5-Dinitro-benzoesaeure-tetrahydrofurfurylester
• 3,5-dinitro-benzoic acid-[1]naphthyl ester
• 2-(3,5-dinitro-benzoyloxymethyl)-tetrahydro-furan
• 3,5-dinitro-benzoic acid tetrahydrofurfuryl ester
• tetrahydro-furfuryl alcohol
• 3,5-Dinitro-benzoesaeure-[1]naphthylester
• 2-Furanmethanol,tetrahydro-,3,5-dinitrobenzoate
• 3,5-Dinitro-benzoesaeure-naphthyl-(1)-ester