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3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile

更新时间:2025-08-25 21:40:49

3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile结构式
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile结构式
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常用名 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile 英文名 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile
CAS号 1811-38-7 分子量 233.22700
密度 1.42g/cm3 沸点 525.9ºC at 760 mmHg
分子式 C10H11N5O2 熔点 N/A
MSDS N/A 闪点 271.8ºC

 名称

英文名 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanenitrile
英文别名 更多

 物理化学性质

密度 1.42g/cm3
沸点 525.9ºC at 760 mmHg
分子式 C10H11N5O2
分子量 233.22700
闪点 271.8ºC
精确质量 233.09100
PSA 85.61000
InChIKey KAVJVVVIFOIZKM-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(ncn2CCC#N)n(C)c1=O
蒸汽压 3.77E-11mmHg at 25°C
折射率 1.679

 合成线路

~%

3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile结构式

3-(1,3-dimethyl...

1811-38-7

文献:Polonowski et al. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1955 , vol. 241, p. 215 Full Text Show Details Zelnik; Pesson Bulletin de la Societe Chimique de France, 1959 , p. 1667

 靶点实验

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实验名称:Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI...
来源:ChEMBL
靶标:Acinetobacter baumannii
External Id:CHEMBL4296188
实验名称:Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC...
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靶标:Pseudomonas aeruginosa
External Id:CHEMBL4296187
实验名称:Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
来源:24983
靶标:Huntingtin
External Id:KUHTS-Muma KU-CaM-Htt INH-01
实验名称:Antibacterial activity against Pseudomonas aeruginosa PAO397 [PAO1 d(mexAB-oprM) d(me...
来源:ChEMBL
靶标:Pseudomonas aeruginosa
External Id:CHEMBL4296802
实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
实验名称:AlphaScreen-based biochemical high throughput primary assay to identify activators of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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来源:The Scripps Research Institute Molecular Screening Center
External Id:MITF_INH_Alpha_1536_1X%INH PRUN
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 英文别名

7H-Purine-7-propanenitrile,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo
3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile
7-(2-Cyano-ethyl)-theophyllin
7-Cyanoethyltheophylline
3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionitril
3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionitrile
7-Cyanaethyl-theophyllin
1,3-dimethyl-7H-xanthine-7-propanenitrile
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