Desmethyl Celecoxib

• 常用名: Desmethyl Celecoxib
• 英文名: Desmethyl Celecoxib
• CAS号: 170569-87-6
• 分子量: 367.346
• 密度: 1.5±0.1 g/cm3
• 沸点: 522.5±60.0 °C at 760 mmHg
• 分子式: C₁₆H₁₂F₃N₃O₂S
• 熔点: N/A
• 闪点: 269.8±32.9 °C

Desmethyl Celecoxib用途

Desmethyl Celecoxib (compound 3b) 是一种选择性的环氧化酶 2 (COX-2) 抑制剂 (IC50=32 nM),具有抗炎活性。 Desmethyl Celecoxib 是 Celecoxib 的类似物,最佳收率为 75％。

Desmethyl Celecoxib名称

• 中文名: 4-(5-苯基-3-(三氟甲基)-1H-吡唑-1-基)苯磺酰胺
• 英文名: 4-[5-(phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

Desmethyl Celecoxib生物活性

• 描述: Desmethyl Celecoxib (compound 3b) 是一种选择性的环氧化酶 2 (COX-2) 抑制剂 (IC50=32 nM),具有抗炎活性。 Desmethyl Celecoxib 是 Celecoxib 的类似物,最佳收率为 75％。
• 相关类别:
  研究领域 >> 炎症/免疫
  信号通路 >> 免疫及炎症 >> COX
• 靶点实验:

  COX-2:32 nM (IC50)

• 参考文献:

  [1]. Vinay Kumar Sthalam, et al. An Integrated Continuous Flow Micro-Total Ultrafast Process System (μ-TUFPS) for the Synthesis of Celecoxib and Other Cyclooxygenase Inhibitors. RETURN TO ISSUEPREVARTICLENEXT

Desmethyl Celecoxib物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 522.5±60.0 °C at 760 mmHg
• 分子式: C₁₆H₁₂F₃N₃O₂S
• 分子量: 367.346
• 闪点: 269.8±32.9 °C
• 精确质量: 367.060242
• PSA: 86.36000
• LogP: 3.75
• InChIKey: MQPLMBSDWYIIID-UHFFFAOYSA-N
• SMILES: NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1
• 外观性状: 固体
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.613
• 储存条件: 2-8°C，密封，干燥

Desmethyl Celecoxib安全信息

• 危害码 (欧洲): Xi

Desmethyl Celecoxib靶点实验

查看更多实验

实验名称：Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees. 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL769648

实验名称：Inhibitory activity against prostaglandin G/H synthase 1 (COX-1) 来源：ChEMBL 靶标：Prostaglandin G/H synthase 1 External Id：CHEMBL873459

实验名称：In vitro inhibitory concentration required to block human recombinant prostaglandin G... 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL763093

实验名称：Percent ulceration was determined in rats at a dose of 200 mg/kg (10 animals) 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL882703

实验名称：Inhibition of purified ovine COX-1 by enzyme immunoassay 来源：ChEMBL 靶标：Prostaglandin G/H synthase 1 External Id：CHEMBL3240192

实验名称：Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells ass... 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL4417330

实验名称：Membrane permeabilizing activity of the compound in calcein-loaded egg phosphatidylch... 来源：ChEMBL 靶标：N/A External Id：CHEMBL3240226

实验名称：Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells ass... 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL4417331

实验名称：Antiproliferative activity against human PC3 cells at 500 nM after 120 hrs by MTT ass... 来源：ChEMBL 靶标：PC-3 External Id：CHEMBL1226548

实验名称：Selectivity ratio of IC50 for ovine COX-1 to IC50 for human recombinant COX-2 来源：ChEMBL 靶标：N/A External Id：CHEMBL3240194

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Desmethyl Celecoxib英文别名

• 4-[5-phenyl-3-trifluoromethyl-1H-pyrazol-1-yl]benzene-sulfonamide
• 4-[5-phenyl-3-(trifluoromethyl) -1H-pyrazol-1-yl] benzenesulfonamide
• 4-[5-Phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
• 4-[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl] benzenesulfonamide
• 1-(4-sulfonamidophenyl)-5-phenyl-3-(trifluoromethyl)-1H-pyrazole
• Desmethyl Celecoxib
• 4-[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1yl]benzenesulfonamide
• 1-HEXADECANOYL-2-(P-NITROPHENOXYSUCCINOYL)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE