1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- (9CI)

• 常用名: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- (9CI)
• 英文名: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- (9CI)
• CAS号: 1807-85-8
• 分子量: 270.28700
• 密度: 1.33g/cm3
• 沸点: 489.6ºC at 760 mmHg
• 分子式: C₁₄H₁₄N₄O₂
• 熔点: N/A
• 闪点: 249.9ºC

名称

• 英文名: 7-benzyl-1,3-dimethylpurine-2,6-dione

物理化学性质

• 密度: 1.33g/cm3
• 沸点: 489.6ºC at 760 mmHg
• 分子式: C₁₄H₁₄N₄O₂
• 分子量: 270.28700
• 闪点: 249.9ºC
• 精确质量: 270.11200
• PSA: 61.82000
• LogP: 0.48200
• InChIKey: WXWQVDBZDNPNLZ-UHFFFAOYSA-N
• SMILES: Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O
• 蒸汽压: 9.87E-10mmHg at 25°C
• 折射率: 1.67

毒性和生态

靶点实验

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实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

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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：Displacement of [3H]PIA from adenosine A1 receptors of rat brain membrane 来源：ChEMBL 靶标：Adenosine receptor A1 External Id：CHEMBL639750

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：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

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

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英文别名

• Theophylline,7-benzyl
• 7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
• benzyl-7 dimethyl-1,3 xanthine
• 7-benzyl-1,3-dimethyl-3,7-dihydropurine-2,6-dione
• 7-benzyl-1,3-dimethylxanthine
• 7-benzyltheophylline
• N-Benzyl xanthine
• 7-benzyl-3,7-dimethylxanthine