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2(1H)-Pyrimidinethione,3,4-dihydro-4,4,6-trimethyl-1-(4-nitrophenyl)

更新时间:2025-08-25 17:14:54

2(1H)-Pyrimidinethione,3,4-dihydro-4,4,6-trimethyl-1-(4-nitrophenyl)结构式
2(1H)-Pyrimidinethione,3,4-dihydro-4,4,6-trimethyl-1-(4-nitrophenyl)结构式
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常用名 2(1H)-Pyrimidinethione,3,4-dihydro-4,4,6-trimethyl-1-(4-nitrophenyl) 英文名 2(1H)-Pyrimidinethione,3,4-dihydro-4,4,6-trimethyl-1-(4-nitrophenyl)
CAS号 21038-75-5 分子量 277.34200
密度 1.31g/cm3 沸点 404.4ºC at 760mmHg
分子式 C13H15N3O2S 熔点 N/A
MSDS N/A 闪点 198.4ºC

 名称

英文名 4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione
英文别名 更多

 物理化学性质

密度 1.31g/cm3
沸点 404.4ºC at 760mmHg
分子式 C13H15N3O2S
分子量 277.34200
闪点 198.4ºC
精确质量 277.08800
PSA 93.18000
LogP 3.88870
InChIKey CPIHDWICCAVJDB-UHFFFAOYSA-N
SMILES CC1=CC(C)(C)NC(=S)N1c1ccc([N+](=O)[O-])cc1
蒸汽压 9.46E-07mmHg at 25°C
折射率 1.655

 合成线路

~87%

2(1H)-Pyrimidinethione,3,4-dihydro-4,4,6-trimethyl-1-(4-nitrophenyl)结构式

2(1H)-Pyrimidin...

21038-75-5

文献:Nasipuri, Dhanonjoy; Banerjee, Satinath; Alaka, B. V.; Daw, N. P. Synthesis, 1982 , # 12 p. 1073 - 1075

~69%

2(1H)-Pyrimidinethione,3,4-dihydro-4,4,6-trimethyl-1-(4-nitrophenyl)结构式

2(1H)-Pyrimidin...

21038-75-5

文献:Schmidt, Arthur H.; Russ, Manuel Chemische Berichte, 1981 , vol. 114, # 3 p. 1099 - 1110

~%

2(1H)-Pyrimidinethione,3,4-dihydro-4,4,6-trimethyl-1-(4-nitrophenyl)结构式

2(1H)-Pyrimidin...

21038-75-5

文献:Schmidt, Arthur H.; Russ, Manuel Chemische Berichte, 1981 , vol. 114, # 3 p. 1099 - 1110

 靶点实验

查看更多实验

实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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: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:High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1149-MLP
实验名称:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_Inhibitor_SinglePoint_HTS_Activity
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 英文别名

hms3085m23
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