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.
ID Source | ID |
---|---|
PubMed CID | 3283243 |
CHEMBL ID | 1448704 |
CHEBI ID | 121709 |
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 |
Class | Description |
---|---|
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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 31.6228 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 26.8545 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 35.4813 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 0.0398 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 28.1838 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 0.7943 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, 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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (12.56) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |