3-甲基-1-(3,4-二甲基苯基)-2-吡唑啉-5-酮 (艾曲波帕中间体)

• 常用名: 3-甲基-1-(3,4-二甲基苯基)-2-吡唑啉-5-酮 (艾曲波帕中间体)
• 英文名: 3-Methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one
• CAS号: 18048-64-1
• 分子量: 202.252
• 密度: 1.1±0.1 g/cm3
• 沸点: 338.5±52.0 °C at 760 mmHg
• 分子式: C₁₂H₁₄N₂O
• 熔点: 116-119℃
• 闪点: 158.5±30.7 °C

名称

• 中文名: 1-(3,4-二甲基苯基)-3-甲基-3-吡唑啉-5-酮
• 英文名: 2-(3,4-Dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
• 中文别名: 艾曲波帕杂质66

物理化学性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 338.5±52.0 °C at 760 mmHg
• 熔点: 116-119℃
• 分子式: C₁₂H₁₄N₂O
• 分子量: 202.252
• 闪点: 158.5±30.7 °C
• 精确质量: 202.110611
• PSA: 32.67000
• LogP: 2.64
• InChIKey: GJBBAPXESBCGRU-UHFFFAOYSA-N
• SMILES: CC1=NN(c2ccc(C)c(C)c2)C(=O)C1
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.571
• 储存条件: 室温，干燥

靶点实验

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实验名称：Cell-based high throughput primary assay to identify activators of GPR151 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify activators of... 来源：The Scripps Research Institute Molecular Screening Center 靶标：N/A External Id：FBW7_ACT_ALPHA_1536_1X%ACT PRUN

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of... 来源：The Scripps Research Institute Molecular Screening Center External Id：MITF_INH_Alpha_1536_1X%INH PRUN

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英文别名

• 2-(3,4-Dimethylphenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
• 3-methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one
• 2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one