1,3-diethyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione

• 常用名: 1,3-diethyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
• 英文名: 1,3-diethyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
• CAS号: 147700-40-1
• 分子量: 414.45500
• 密度: 1.25g/cm3
• 沸点: 621.6ºC at 760 mmHg
• 分子式: C₂₁H₂₆N₄O₅
• 熔点: N/A
• 闪点: 329.7ºC

名称

• 英文名: 1,3-diethyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione

物理化学性质

• 密度: 1.25g/cm3
• 沸点: 621.6ºC at 760 mmHg
• 分子式: C₂₁H₂₆N₄O₅
• 分子量: 414.45500
• 闪点: 329.7ºC
• 精确质量: 414.19000
• PSA: 89.51000
• LogP: 2.13270
• InChIKey: ZUVCBMUGYDVTKR-MDZDMXLPSA-N
• SMILES: CCn1c(=O)c2c(nc(C=Cc3cc(OC)c(OC)c(OC)c3)n2C)n(CC)c1=O
• 蒸汽压: 2.25E-15mmHg at 25°C
• 折射率: 1.588

靶点实验

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实验名称：Compound was evaluated for inhibitory activity on haloperidol induced catalepsy (anti... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL736530

实验名称：Relative affinity for A1 and A2A adenosine receptors (No data) 来源：ChEMBL 靶标：Adenosine receptors; A1 & A2a External Id：CHEMBL847329

实验名称：Relative affinity for A1 and A2A adenosine receptors (shielded from light) 来源：ChEMBL 靶标：Adenosine receptors; A1 & A2a External Id：CHEMBL847327

实验名称：In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes b... 来源：ChEMBL 靶标：Adenosine receptor A2a External Id：CHEMBL647736

实验名称：Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand 来源：ChEMBL 靶标：Adenosine receptor A1 External Id：CHEMBL641041

实验名称：Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes at 10e... 来源：ChEMBL 靶标：Adenosine receptor A1 External Id：CHEMBL644905

实验名称：Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes at 10e-... 来源：ChEMBL 靶标：Adenosine receptor A1 External Id：CHEMBL644906

实验名称：Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes (shield... 来源：ChEMBL 靶标：Adenosine receptor A1 External Id：CHEMBL644729

实验名称：Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as ... 来源：ChEMBL 靶标：Adenosine receptor A2a External Id：CHEMBL648802

实验名称：Ratio between Ki of adenosine A1 receptor to that of adenosine A2 receptor 来源：ChEMBL 靶标：Adenosine receptors; A1 & A2 External Id：CHEMBL850370

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