Page last updated: 2024-12-09

1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

You're describing a rather specific compound, **1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester**. Let's break down its structure and potential significance:

**Structure:**

* **1,3-benzothiazole:** This is a heterocyclic aromatic ring system containing a benzene ring fused to a thiazole ring.
* **6-carboxylic acid:** A carboxyl group (-COOH) is attached to the 6th position of the benzothiazole ring.
* **(2-benzamido-2-oxoethyl) ester:** This is the ester portion of the molecule. It consists of a benzamide group (benzamide is a derivative of benzoic acid with an amide group) attached to a 2-oxoethyl (acetyl) group, which is then linked to the benzothiazole-6-carboxylic acid via an ester bond.

**Potential Significance in Research:**

This compound could be important in research due to its unique structure, which combines features of different functional groups. Here are some potential areas of research:

* **Drug Discovery:**
* **Anti-infective agents:** Benzothiazole derivatives are known to exhibit antimicrobial and antifungal properties. The presence of the carboxylic acid and benzamide groups could further modulate the compound's biological activity, making it a potential candidate for anti-infective drug development.
* **Anti-cancer agents:** Some benzamide derivatives have shown promising anti-cancer properties. The benzothiazole moiety could contribute to its interactions with cellular targets.
* **Anti-inflammatory agents:** The benzamide group is known to have anti-inflammatory effects. The compound could be investigated for its potential to modulate inflammation pathways.
* **Materials Science:**
* **Organic electronics:** Benzothiazoles are used in organic light-emitting diodes (OLEDs) and other organic electronic devices. The compound's structure could be tailored to create new materials with improved properties.
* **Analytical Chemistry:**
* **Fluorescence probes:** Benzothiazole derivatives are often fluorescent. The compound could be investigated as a potential fluorescent probe for specific biological or chemical targets.

**It's important to note:**

* **No specific research has been conducted on this exact compound.** The potential areas mentioned above are based on the properties of similar compounds and the structural features of the molecule.
* **Further investigation and experimentation are needed to determine the actual biological, chemical, and physical properties of 1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester.**

If you have any specific research questions related to this compound, it's best to consult with a chemist or researcher with expertise in organic chemistry and drug discovery.

Cross-References

ID SourceID
PubMed CID2478326
CHEMBL ID1348042
CHEBI ID120990

Synonyms (10)

Synonym
MLS000336532
smr000254086
CHEBI:120990
(2-benzamido-2-oxoethyl) 1,3-benzothiazole-6-carboxylate
HMS2731H21
CHEMBL1348042
1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester
Q27209224
Z15486013
AKOS033419764
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzothiazoles
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (7)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency17.78280.004023.8416100.0000AID485290
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency25.11890.631035.7641100.0000AID504339
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency22.38720.177814.390939.8107AID2147
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency79.43280.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency56.23410.035520.977089.1251AID504332
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency84.92140.425612.059128.1838AID504891
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency100.00000.050127.073689.1251AID588590
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]