1H-Purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8-[ (3-methylbutyl)thio]

• 常用名: 1H-Purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8-[ (3-methylbutyl)thio]
• 英文名: 1H-Purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8-[ (3-methylbutyl)thio]
• CAS号: 73747-35-0
• 分子量: 296.38900
• 密度: 1.3g/cm3
• 沸点: 467.2ºC at 760 mmHg
• 分子式: C₁₃H₂₀N₄O₂S
• 熔点: N/A
• 闪点: 236.3ºC

名称

• 英文名: 1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

物理化学性质

• 密度: 1.3g/cm3
• 沸点: 467.2ºC at 760 mmHg
• 分子式: C₁₃H₂₀N₄O₂S
• 分子量: 296.38900
• 闪点: 236.3ºC
• 精确质量: 296.13100
• PSA: 87.12000
• LogP: 1.10890
• InChIKey: MGAOAMZOLCYPSY-UHFFFAOYSA-N
• SMILES: CC(C)CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C
• 折射率: 1.631

毒性和生态

靶点实验

查看更多实验

实验名称：Inhibition of human recombinant MAOB using kynuramine as substrate by fluorescence as... 来源：ChEMBL 靶标：Amine oxidase [flavin-containing] B External Id：CHEMBL1930522

实验名称：Inhibition of human recombinant MAOA using kynuramine as substrate by fluorescence as... 来源：ChEMBL 靶标：Amine oxidase [flavin-containing] A External Id：CHEMBL1930521

实验名称：Selectivity ratio, ratio of IC50 for human recombinant MAOA to IC50 for human recombi... 来源：ChEMBL 靶标：N/A External Id：CHEMBL1930525

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英文别名

• 8-(Isopentylthio)caffeine
• 8-[(3-methylbutyl)sulfanyl]caffeine
• CAFFEINE,8-(ISOPENTYLTHIO)