Page last updated: 2024-12-10

2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester

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

You're asking about a very specific chemical compound: **2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester**. Let's break down its structure and potential importance in research.

**Chemical Structure and Breakdown**

* **2-(3-thiophenyl)acetic acid:** This is a molecule that contains a thiophene ring (a sulfur-containing aromatic ring) attached to an acetic acid group.
* **[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester:** This part indicates that the acetic acid is linked to another molecule via an ester bond. The attached molecule has a benzoxazine ring (fused benzene and oxazine rings) with carbonyl (C=O) groups at positions 2 and 3.

**Why is it Important for Research?**

Without more context, it's hard to say definitively why this specific compound is important for research. However, based on its chemical structure, it could be relevant to several areas:

* **Medicinal Chemistry:** The presence of the benzoxazine ring suggests potential for activity as a drug candidate. Benzoxazines are known to exhibit diverse pharmacological properties, including anti-inflammatory, anti-cancer, and antibacterial activity. The thiophene group could contribute to the compound's bioavailability or binding affinity to specific targets.
* **Materials Science:** The combination of aromatic rings (thiophene, benzoxazine) with carbonyl groups could give this molecule unique properties for materials science applications. For example, it might have the ability to form self-assembled structures or exhibit fluorescence.
* **Organic Synthesis:** This compound could be an intermediate in the synthesis of other more complex molecules. Its synthesis itself might be interesting, presenting challenges or requiring new synthetic methods.

**Need for More Information**

To determine the exact importance of this compound, we would need more information, such as:

* **What research area is it being studied in?** (medicinal chemistry, materials science, etc.)
* **What specific properties are researchers investigating?** (biological activity, fluorescence, etc.)
* **What is the context of its discovery or synthesis?** (Is it a newly synthesized molecule, a derivative of a known compound, etc.)

**To find more information, try:**

* Searching scientific databases like PubMed, Scopus, or Web of Science using the full chemical name or relevant keywords.
* Consulting chemical databases like PubChem or ChemSpider.

By providing more context, you can get a more accurate assessment of the compound's significance in research.

Cross-References

ID SourceID
PubMed CID3283243
CHEMBL ID1448704
CHEBI ID121709

Synonyms (12)

Synonym
HMS2639B04
OPREA1_796249
MLS001018163
smr000354439
CHEBI:121709
[2-oxo-2-(3-oxo-4h-1,4-benzoxazin-6-yl)ethyl] 2-thiophen-3-ylacetate
HMS3364M12
Z18485136
CHEMBL1448704
Q27210276
2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4h-1,4-benzoxazin-6-yl)ethyl] ester
AKOS033625226
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzoxazine
[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 (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Ferritin light chainEquus caballus (horse)Potency31.62285.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency26.85450.007215.758889.3584AID588342
thioredoxin reductaseRattus norvegicus (Norway rat)Potency35.48130.100020.879379.4328AID588453
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency0.03980.035520.977089.1251AID504332
pyruvate kinase PKM isoform aHomo sapiens (human)Potency28.18380.04017.459031.6228AID1631; AID1634
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency0.79430.075215.225339.8107AID485360
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
[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]