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9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione

更新时间:2025-08-20 22:40:23

9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione结构式
9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione结构式
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常用名 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione 英文名 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
CAS号 7501-78-2 分子量 268.33500
密度 1.39g/cm3 沸点 346.3ºC at 760 mmHg
分子式 C11H16N4O2S 熔点 N/A
MSDS N/A 闪点 163.2ºC

 名称

英文名 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
英文别名 更多

 物理化学性质

密度 1.39g/cm3
沸点 346.3ºC at 760 mmHg
分子式 C11H16N4O2S
分子量 268.33500
闪点 163.2ºC
精确质量 268.09900
PSA 96.81000
LogP 0.89640
InChIKey URMPBQMVAJIEQW-UHFFFAOYSA-N
SMILES CCCCn1c(=S)[nH]c2c(=O)n(C)c(=O)n(C)c21
折射率 1.658

 合成线路

~%

9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione结构式

9-butyl-1,3-dim...

7501-78-2

文献:Blicke; Schaaf Journal of the American Chemical Society, 1956 , vol. 78, p. 5857,5860

 上下游产品

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 靶点实验

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实验名称:C. difficile toxins: Counterscreen in absence of substrate UDPG Measured in Biochemic...
来源:Broad Institute
靶标:N/A
External Id:7074-02_Inhibitor_Dose_CherryPick_Activity
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:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
实验名称:C. difficile toxins: HTS for inhibitors of TcdB glycohydrolase activity Measured in B...
来源:Broad Institute
靶标:Toxin B [Clostridium difficile 630]
External Id:7074-01_Inhibitor_Dose_CherryPick_Activity
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:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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 英文别名

9-butyl-1,3-dimethyl-8-thio-uric acid
9-Butyl-1,3-dimethyl-8-thio-harnsaeure
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