N-[(4'-溴[1,1'-联苯]-4-基)磺酰基]-L-缬氨酸

• 常用名: N-[(4'-溴[1,1'-联苯]-4-基)磺酰基]-L-缬氨酸
• 英文名: PD 166793
• CAS号: 199850-67-4
• 分子量: 412.29800
• 密度: 1.457g/cm3
• 沸点: 562.069ºC at 760 mmHg
• 分子式: C₁₇H₁₈BrNO₄S
• 熔点: 192-193℃
• 闪点: 293.729ºC

用途

PD-166793 is a cell-permeable biphenylsulfonylvaline compound that acts as a potent inhibitor against MMP-2, -3, and -13 (IC50 = 47, 12, and 8 nM, respectively) and a weaker inhibitor against AMP deaminase (20% inhibition at 0.1 μM), MMP-1, -7, -9, and -14 (IC50 = 6.1, 7.2, 7.9, and 0.24 μM, respectively). Shown to offer therapeutic benefits in vivo in various animal models of heart failure and diabetes.

名称

• 中文名: (S)-2-(4’-溴联苯-4-磺酰胺)-3-甲基丁酸
• 英文名: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
• 中文别名: N-[(4'-溴[1,1'-联苯]-4-基)磺酰基]-L-缬氨酸

物理化学性质

• 密度: 1.457g/cm3
• 沸点: 562.069ºC at 760 mmHg
• 熔点: 192-193℃
• 分子式: C₁₇H₁₈BrNO₄S
• 分子量: 412.29800
• 闪点: 293.729ºC
• 精确质量: 411.01400
• PSA: 91.85000
• LogP: 4.97530
• InChIKey: GJOCABIDMCKCEG-INIZCTEOSA-N
• SMILES: CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O
• 蒸汽压: 0mmHg at 25°C
• 折射率: 1.597
• 储存条件: Desiccate at +4°C

靶点实验

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实验名称：Cmax in rat plasma after single 5 mg/kg oral cassette gavage dose 来源：ChEMBL 靶标：N/A External Id：CHEMBL626781

实验名称：Time to maximal concentration (tmax) in rats following a single 5 mg/kg oral cassette... 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL644022

实验名称：In vitro inhibition of human recombinant matrix metalloprotease-1 (MMP-1) 来源：ChEMBL 靶标：Interstitial collagenase External Id：CHEMBL715374

实验名称：Pharmacokinetic parameters in rats following a single 5 mg/kg oral cassette gavage do... 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL641498

实验名称：In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13) 来源：ChEMBL 靶标：Collagenase 3 External Id：CHEMBL719145

实验名称：AUC in rats following a single 5 mg/kg oral cassette gavage dose 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL641499

实验名称：Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A External Id：HMS1315

实验名称：In vitro inhibition of matrix metalloprotease-2 (MMP-2) 来源：ChEMBL 靶标：72 kDa type IV collagenase External Id：CHEMBL715828

实验名称：SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f... 来源：ChEMBL 靶标：Replicase polyprotein 1ab External Id：CHEMBL4495582

实验名称：Tocris HTS for Inhibitors of Aerobactin Synthetase lucA 来源：23265 External Id：IucA Pilot Assay Tocris Library

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