3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester

Modify Date: 2025-08-26 21:16:17

3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester Structure
3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester structure
Common Name 3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester
CAS Number 951-41-7 Molecular Weight 237.27500
Density N/A Boiling Point N/A
Molecular Formula C11H11NO3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C11H11NO3S
Molecular Weight 237.27500
Exact Mass 237.04600
PSA 76.54000
LogP 1.62610
InChIKey QKPHEMXJJWXMRK-UHFFFAOYSA-N
SMILES CCOC(=O)Cn1c(=O)sc2ccccc21

 Synthetic Route

~75%

3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester Structure

3(2H)-Benzothia...

CAS#:951-41-7

Literature: D'Amico, John J.; Bollinger, Frederick G. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1183 - 1190

~43%

3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester Structure

3(2H)-Benzothia...

CAS#:951-41-7

Literature: Dogruer, Deniz Songuel; Uenlue, Serdar; Sahin, Mustafa Fethi; Yesilada, Erdem Farmaco, 1998 , vol. 53, # 1 p. 80 - 84

~%

3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester Structure

3(2H)-Benzothia...

CAS#:951-41-7

Literature: Duendar, Yasemin; Onurdag, Fatma Kaynak; Onkol, Tijen Asian Journal of Chemistry, 2013 , vol. 25, # 1 p. 225 - 230

~%

3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester Structure

3(2H)-Benzothia...

CAS#:951-41-7

Literature: Allen; Van Allan Journal of Organic Chemistry, 1948 , vol. 13, p. 603,605

 Bioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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 Synonyms

3-(carbethoxymethyl)-2-benzothiazoline
ethyl (benzothiazol-2(3H)-one-3-yl)acetate
ethyl 2-oxo-3-benzothiazolineacetate
ethyl 2-(2-oxobenzo[d]thiazol-3(2H)-yl)acetate
(2-oxo-benzothiazol-3-yl)-acetic acid ethyl ester
HMS2456G08
ethyl [2(3H)-benzothiazolinone-3-yl]acetate
ethyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
HMS1695C08
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