4-[5-(3-甲基苯基)-3-三氟甲基-1H-吡唑-1-基]苯磺酰胺

• 常用名: 4-[5-(3-甲基苯基)-3-三氟甲基-1H-吡唑-1-基]苯磺酰胺
• 英文名: 4-Desmethyl-3-methyl Celecoxib
• CAS号: 170570-01-1
• 分子量: 381.37200
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₇H₁₄F₃N₃O₂S
• 熔点: N/A
• 闪点: N/A

名称

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

物理化学性质

• 分子式: C₁₇H₁₄F₃N₃O₂S
• 分子量: 381.37200
• 精确质量: 381.07600
• PSA: 86.36000
• LogP: 5.29500
• InChIKey: MPVPOTMPKLOUHZ-UHFFFAOYSA-N
• SMILES: Cc1cccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1

安全信息

• 危险品运输编码: NONH for all modes of transport

靶点实验

查看更多实验

实验名称：Inhibition of human Prostaglandin G/H synthase 2 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL763870

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 2 (COX-2) 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL879226

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

实验名称：In vitro inhibitory concentration required to block recombinant human prostaglandin G... 来源：ChEMBL 靶标：Prostaglandin G/H synthase 1 External Id：CHEMBL772766

实验名称：Inhibitory constant against prostaglandin G/H synthase 1 (COX-1) 来源：ChEMBL 靶标：Prostaglandin G/H synthase 1 External Id：CHEMBL764159

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：Selectivity as log (IC50[COX-1]/IC50[COX-2]). 来源：ChEMBL 靶标：N/A External Id：CHEMBL852471

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英文别名

• 4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
• Celecoxib impurity A
• 4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• Celecoxib Impurity 3