The compound you described, **1-(3-hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-yl-2-imidazol-1-iumyl)ethanone**, is a complex organic molecule with a unique structure. It contains several functional groups, including:
* **Imidazole:** A five-membered aromatic heterocycle.
* **Thiophene:** A five-membered aromatic heterocycle containing a sulfur atom.
* **Ketone:** A carbonyl group (C=O) connected to two alkyl groups.
* **Hydroxy:** An -OH group attached to a carbon atom.
* **Oxido:** An oxygen atom with a positive charge, indicating a positively charged nitrogen atom within the imidazole ring.
Due to this complex structure and its potential for interaction with various biological systems, this compound might be of interest for research in several areas:
* **Pharmacology:** The combination of an imidazole ring, a thiophene ring, and a ketone group can make this molecule a potential **drug candidate** for various conditions. For instance, imidazole derivatives are known for their **antifungal activity**, while thiophenes have shown potential in **anti-inflammatory** and **anti-cancer** therapies.
* **Materials science:** The molecule's rigid structure and multiple functional groups could make it suitable for **polymer synthesis** or the creation of **organic electronic devices**.
* **Biochemistry:** The compound's structure could be used as a **probe or a ligand** to study the function of specific enzymes or proteins.
However, **without further context or information**, it is impossible to say with certainty why this specific compound is important for research.
**To understand the compound's significance, more information is needed, including:**
* **Its specific activity or properties:** Does it have any known biological or chemical activities?
* **The research context:** What is the specific research question or area this compound is being investigated in?
* **Its synthesis and characterization:** How was this compound synthesized and how was its structure confirmed?
With additional information, we can better understand the importance of this compound for research.
| ID Source | ID |
|---|---|
| PubMed CID | 3151807 |
| CHEMBL ID | 1502364 |
| CHEBI ID | 115633 |
| Synonym |
|---|
| smr000285375 |
| MLS000678305 |
| CHEBI:115633 |
| STL003703 |
| 1-[1-hydroxy-2,5,5-trimethyl-3-oxido-4-(thiophen-2-yl)-2,5-dihydro-1h-imidazol-2-yl]ethanone |
| AKOS016895760 |
| AKOS000565523 |
| 1-(3-hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-ylimidazol-1-ium-2-yl)ethanone |
| HMS2659M07 |
| CHEMBL1502364 |
| 2-acetyl-1-hydroxy-2,5,5-trimethyl-4-(thiophen-2-yl)-2,5-dihydro-1h-imidazol-3-ium-3-olate |
| Q27197975 |
| 1-(3-hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-yl-2-imidazol-1-iumyl)ethanone |
| Z166626618 |
| Class | Description |
|---|---|
| heteroarene | A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2). |
| [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, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 31.6228 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
| Luciferase | Photinus pyralis (common eastern firefly) | Potency | 0.3013 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 0.0989 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 2.2387 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 0.1000 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
| ras-related protein Rab-9A | Homo sapiens (human) | Potency | 0.2512 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 22.3872 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 7.2334 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
| geminin | Homo sapiens (human) | Potency | 20.5962 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
| [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. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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. |
| 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. |
| [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] | ||