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1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro

更新时间:2026-07-21 15:32:17

1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro结构式
1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro结构式
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常用名 1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro 英文名 1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro
CAS号 5169-95-9 分子量 208.21700
密度 1.317g/cm3 沸点 451.2ºC at 760 mmHg
分子式 C9H12N4O2 熔点 N/A
MSDS N/A 闪点 226.7ºC

 名称

英文名 1,3-Diethylxanthine
英文别名 更多

 物理化学性质

密度 1.317g/cm3
沸点 451.2ºC at 760 mmHg
分子式 C9H12N4O2
分子量 208.21700
闪点 226.7ºC
精确质量 208.09600
PSA 72.68000
InChIKey GIMNFISWKTZFKJ-UHFFFAOYSA-N
SMILES CCn1c(=O)c2[nH]cnc2n(CC)c1=O
折射率 1.577

 安全信息

海关编码 2933990090

 合成线路

~68%

1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro结构式

1H-Purine-2,6-d...

5169-95-9

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文献:Bayer Aktiengesellschaft Patent: US5714494 A1, 1998 ; US 5714494 A

~12%

1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro结构式

1H-Purine-2,6-d...

5169-95-9

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文献:Xi, Peihua; Yang, Fan; Qin, Song; Zhao, Dongbing; Lan, Jingbo; Gao, Ge; Hu, Changwei; You, Jingsong Journal of the American Chemical Society, 2010 , vol. 132, # 6 p. 1822 - 1824

~%

1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro结构式

1H-Purine-2,6-d...

5169-95-9

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文献:Wang, Yuguang; Chackalamannil, Samuel; Hu, Zhiyong; Boyle, Craig D.; Lankin, Claire M.; Xia, Yan; Xu, Ruo; Asberom, Theodros; Pissarnitski, Dmitri; Stamford, Andrew W.; Greenlee, William J.; Skell, Jeffrey; Kurowski, Stanley; Vemulapalli, Subbarao; Palamanda, Jairam; Chintala, Madhu; Wu, Ping; Myers, Joyce; Wang, Peng Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 21 p. 3149 - 3152

 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:Compound was evaluated for its ability to antagonise cyclic [3H]AMP accumulation in [...
来源:ChEMBL
靶标:Adenosine receptor A2a
External Id:CHEMBL641991
实验名称:Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptor i...
来源:ChEMBL
靶标:Adenosine receptor A1
External Id:CHEMBL649108
实验名称:Inhibition of 2-CADO-stimulated adenylate cyclase at Adenosine A2 receptor in guinea ...
来源:ChEMBL
靶标:Adenosine receptor A2a
External Id:CHEMBL641992
实验名称:Selectivity was expressed as the ratio is Ki of adenosine A1 receptor to that of aden...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL840467
实验名称:Binding of 1 nM [3H]CHA to Adenosine A1 receptor of rat cerebral cortical membranes
来源:ChEMBL
靶标:Adenosine receptor A1
External Id:CHEMBL641037
实验名称:Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'...
来源:ChEMBL
靶标:Adenosine receptor A2a
External Id:CHEMBL649117
实验名称:Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [12...
来源:ChEMBL
靶标:Adenosine receptor A2b
External Id:CHEMBL636450
实验名称:Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]N6...
来源:ChEMBL
靶标:Adenosine receptor A1
External Id:CHEMBL643484
实验名称:Inhibition of adenosine stimulated accumulation of cyclic AMP at Adenosine A2 recepto...
来源:ChEMBL
靶标:Adenosine receptor A2a
External Id:CHEMBL789405
实验名称:Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding of [...
来源:ChEMBL
靶标:Adenosine receptor A1
External Id:CHEMBL642857
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 英文别名

1,3-Diethylxantine
1,3-Diethyl-7H-purine-2,6(1H,3H)-dione
1,3-Diethyl-3,7-dihydro-1H-purine-2,6-dione
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