1,3-Benzodioxole-5-acetonitrile,a-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]

• 常用名: 1,3-Benzodioxole-5-acetonitrile,a-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]
• 英文名: 1,3-Benzodioxole-5-acetonitrile,a-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]
• CAS号: 51116-23-5
• 分子量: 339.34200
• 密度: 1.266g/cm3
• 沸点: 547ºC at 760 mmHg
• 分子式: C₁₉H₁₇NO₅
• 熔点: N/A
• 闪点: 235.7ºC

名称

• 英文名: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile

物理化学性质

• 密度: 1.266g/cm3
• 沸点: 547ºC at 760 mmHg
• 分子式: C₁₉H₁₇NO₅
• 分子量: 339.34200
• 闪点: 235.7ºC
• 精确质量: 339.11100
• PSA: 77.78000
• LogP: 3.31268
• InChIKey: OPEGUAZSDPKRJX-UHFFFAOYSA-N
• SMILES: COc1ccc(C(=O)CC(C#N)c2ccc3c(c2)OCO3)cc1OC
• 折射率: 1.582

靶点实验

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实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

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实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1100

实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1101

实验名称：Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas... 来源：Broad Institute 靶标：N/A External Id：2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima... 来源：NCGC 靶标：apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7] External Id：AMA1100

实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：abhydrolase domain-containing protein 4 isoform 1 [Mus musculus] External Id：ABHD4_INH_FP_1536_1X%INH PRUN

实验名称：High Throughput Screen to Identify Inhibitors Targeting HIV-1 Vif-dependent Degradati... 来源：Southern Research Institute 靶标：HIV-1 Vif External Id：HIV1-VIF_MS

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英文别名

• 2-benzo[1,3]dioxol-5-yl-4-(3,4-dimethoxy-phenyl)-4-oxo-butyronitrile