2H-1,3,5-Thiadiazine-2-thione,tetrahydro-3,5-bis(2-phenylethyl)

• 常用名: 2H-1,3,5-Thiadiazine-2-thione,tetrahydro-3,5-bis(2-phenylethyl)
• 英文名: 2H-1,3,5-Thiadiazine-2-thione,tetrahydro-3,5-bis(2-phenylethyl)
• CAS号: 14318-37-7
• 分子量: 342.52100
• 密度: 1.23g/cm3
• 沸点: 484.3ºC at 760mmHg
• 分子式: C₁₉H₂₂N₂S₂
• 熔点: N/A
• 闪点: 246.7ºC

名称

• 英文名: 3,5-bis(2-phenylethyl)-1,3,5-thiadiazinane-2-thione

物理化学性质

• 密度: 1.23g/cm3
• 沸点: 484.3ºC at 760mmHg
• 分子式: C₁₉H₂₂N₂S₂
• 分子量: 342.52100
• 闪点: 246.7ºC
• 精确质量: 342.12200
• PSA: 63.87000
• LogP: 3.89830
• InChIKey: NYQTVLZGKQXVIT-UHFFFAOYSA-N
• SMILES: S=C1SCN(CCc2ccccc2)CN1CCc1ccccc1
• 蒸汽压: 1.56E-09mmHg at 25°C
• 折射率: 1.677

毒性和生态

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：Counterscreen for agonists of the human trace amine associated receptor 1 (hTAAR1): F... 来源：The Scripps Research Institute Molecular Screening Center 靶标：trace amine-associated receptor 1 [Homo sapiens] External Id：TAAR1_ANT_FLUO8_1536_3XIC50 DCSRUN for TAAR1 AG

实验名称：Fluorescence-based cell-based high throughput dose response assay to identify agonist... 来源：The Scripps Research Institute Molecular Screening Center 靶标：trace amine-associated receptor 1 [Homo sapiens] External Id：TAAR1_AG_FLUO8_1536_3XEC50 DRUN

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：Counterscreen for agonists of the human trace amine associated receptor 1 (TAAR1): Fl... 来源：The Scripps Research Institute Molecular Screening Center 靶标：guanine nucleotide-binding protein subunit alpha-15 [Homo sapiens] External Id：CHO-GA16_ANT_FLUO8_1536_3XIC50 DCSRUN for TAAR1 AG

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：Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ... 来源：ChEMBL 靶标：Klebsiella pneumoniae External Id：CHEMBL4296186

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

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英文别名

• Tetrahydro-3,5-diphenethyl-2H-1,3,5-thiadiazine-2-thione
• 2H-1,3,5-Thiadiazine-2-thione,tetrahydro-3,5-diphenethyl
• 2-Thio-3,5-diphenaethyl-tetrahydro-1,3,5-thiadiazin
• 3,5-Diphenethyltetrahydro-2H-1,3,5-thiadiazine-2-thione