2,5-Cyclohexadiene-1,4-dione,2-methyl-5-[(4-methylphenyl)thio]

• 常用名: 2,5-Cyclohexadiene-1,4-dione,2-methyl-5-[(4-methylphenyl)thio]
• 英文名: 2,5-Cyclohexadiene-1,4-dione,2-methyl-5-[(4-methylphenyl)thio]
• CAS号: 30771-64-3
• 分子量: 244.30900
• 密度: 1.24g/cm3
• 沸点: 376ºC at 760mmHg
• 分子式: C₁₄H₁₂O₂S
• 熔点: N/A
• 闪点: 161.9ºC

名称

• 英文名: 2-methyl-5-(4-methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione

物理化学性质

• 密度: 1.24g/cm3
• 沸点: 376ºC at 760mmHg
• 分子式: C₁₄H₁₂O₂S
• 分子量: 244.30900
• 闪点: 161.9ºC
• 精确质量: 244.05600
• PSA: 59.44000
• LogP: 3.06910
• InChIKey: MIBWXUPDCBKVJK-UHFFFAOYSA-N
• SMILES: CC1=CC(=O)C(Sc2ccc(C)cc2)=CC1=O
• 折射率: 1.622

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

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

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：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

实验名称：Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition 来源：Southern Research Specialized Biocontainment Screening Center 靶标：Chain A, Crystal Structure Of Dengue-2 Virus Methyltransferase Complexed With S-Adenosyl-L-Homocysteine External Id：CEGtase_01

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英文别名

• 3-Methyl-6-p-tolylthio-p-benzochinon
• 5-p-Tolylmercapto-toluchinon
• 2-methyl-5-[(4-methylphenyl)sulfanyl]cyclohexa-2,5-diene-1,4-dione