1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)

• 常用名: 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)
• 英文名: 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)
• CAS号: 2850-40-0
• 分子量: 222.24400
• 密度: 1.284g/cm3
• 沸点: 447.6ºC at 760 mmHg
• 分子式: C₁₀H₁₄N₄O₂
• 熔点: N/A
• 闪点: 224.5ºC

名称

• 英文名: 1,3-dimethyl-8-propan-2-yl-7H-purine-2,6-dione

物理化学性质

• 密度: 1.284g/cm3
• 沸点: 447.6ºC at 760 mmHg
• 分子式: C₁₀H₁₄N₄O₂
• 分子量: 222.24400
• 闪点: 224.5ºC
• 精确质量: 222.11200
• PSA: 72.68000
• LogP: 0.08370
• InChIKey: NKNVOKGUNUZJFC-UHFFFAOYSA-N
• SMILES: CC(C)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C
• 蒸汽压: 3.33E-08mmHg at 25°C
• 折射率: 1.577

毒性和生态

安全信息

• 海关编码: 2933990090

海关

• 海关编码: 2933990090
• 中文概述: 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

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：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：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：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

实验名称：Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay 来源：24386 靶标：N/A External Id：Sarm1 TIR NADase inhibitors

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英文别名

• 8-isopropyl-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione
• 1,3-dimethyl-8-isopropylxanthine
• 8-isopropyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
• 8-isopropyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
• 8-Isopropyl theophylline
• 1,3-Dimethyl-8-isopropyl-xanthin
• Theophylline,8-isopropyl
• 8-Isopropyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
• Xanthine,1,3-dimethyl-8-isopropyl