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ethyl 3-benzothiazol-2-yl-2-oxo-propanoate

更新时间:2025-08-27 19:09:50

ethyl 3-benzothiazol-2-yl-2-oxo-propanoate结构式
ethyl 3-benzothiazol-2-yl-2-oxo-propanoate结构式
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常用名 ethyl 3-benzothiazol-2-yl-2-oxo-propanoate 英文名 ethyl 3-benzothiazol-2-yl-2-oxo-propanoate
CAS号 66904-39-0 分子量 249.28600
密度 1.317g/cm3 沸点 377ºC at 760 mmHg
分子式 C12H11NO3S 熔点 N/A
MSDS N/A 闪点 181.8ºC

 名称

英文名 ethyl 3-(1,3-benzothiazol-2-yl)-2-oxopropanoate
英文别名 更多

 物理化学性质

密度 1.317g/cm3
沸点 377ºC at 760 mmHg
分子式 C12H11NO3S
分子量 249.28600
闪点 181.8ºC
精确质量 249.04600
PSA 84.50000
LogP 1.97100
InChIKey NGENAUZCHCXMIC-UHFFFAOYSA-N
SMILES CCOC(=O)C(=O)Cc1nc2ccccc2s1
折射率 1.612

 合成线路

~71%

ethyl 3-benzothiazol-2-yl-2-oxo-propanoate结构式

ethyl 3-benzoth...

66904-39-0

文献:Zupet; Tisler Synthetic Communications, 1992 , vol. 22, # 15 p. 2245 - 2251

~%

ethyl 3-benzothiazol-2-yl-2-oxo-propanoate结构式

ethyl 3-benzoth...

66904-39-0

文献:Borsche; Doeller Justus Liebigs Annalen der Chemie, 1939 , vol. 537, p. 53,65

 靶点实验

查看更多实验

实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
实验名称:Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
来源:ChEMBL
靶标:Klebsiella pneumoniae
External Id:CHEMBL4296186
实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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:Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay
来源:24386
靶标:N/A
External Id:Sarm1 TIR NADase inhibitors
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 英文别名

benzothiazol-2-yl-pyruvic acid ethyl ester
Ethyl 3-(2-benzothiazolyl) pyruvate
Benzothiazol-2-yl-brenztraubensaeure-aethylester
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