4-[5-(4-羟基甲基苯基)-3-(三氟甲基)-1H-吡唑-1-基]苯磺酰胺

• 常用名: 4-[5-(4-羟基甲基苯基)-3-(三氟甲基)-1H-吡唑-1-基]苯磺酰胺
• 英文名: Hydroxy Celecoxib
• CAS号: 170571-00-3
• 分子量: 397.37200
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₇H₁₄F₃N₃O₃S
• 熔点: N/A
• 闪点: N/A

名称

• 中文名: 4-[5-(4-羟基甲基苯基)-3-(三氟甲基)-1H-吡唑-1-基]苯磺酰胺
• 英文名: Hydroxy Celecoxib

物理化学性质

• 分子式: C₁₇H₁₄F₃N₃O₃S
• 分子量: 397.37200
• 精确质量: 397.07100
• PSA: 106.59000
• LogP: 4.47890
• InChIKey: ICRSYPPLGADZKA-UHFFFAOYSA-N
• SMILES: NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CO)cc2)cc1

靶点实验

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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：Relative free energy of binding of compound to wild-type Prostaglandin G/H synthase 1... 来源：ChEMBL 靶标：Prostaglandin G/H synthase 1 External Id：CHEMBL764774

实验名称：Relative free energy of binding of compound to wild-type Prostaglandin G/H synthase 2... 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL768430

实验名称：Inhibition of ovine COX1 by enzyme immuno assay 来源：ChEMBL 靶标：Prostaglandin G/H synthase 1 External Id：CHEMBL942233

实验名称：Antiinflammatory activity against po dosed carrageenan-induced rat foot paw edema aft... 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL942235

实验名称：Inhibition of ovine COX2 by enzyme immuno assay 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL942234

实验名称：Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL879226

实验名称：Inhibitory constant against prostaglandin G/H synthase 2 (COX-2) 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL764068

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英文别名

• 4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• Celecoxib Impurity 5