The compound you described, **1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone**, is a synthetic molecule with a complex structure containing a piperidine ring, a quinoxaline ring, and a thioether linkage.
While the exact biological activities and research applications of this specific compound are not readily available in public databases, its structure suggests potential for pharmacological research. Here's why:
* **Piperidine and quinoxaline rings:** Both are common structural motifs found in various pharmacologically active molecules. Piperidine rings are present in drugs like tramadol (analgesic) and dextromethorphan (cough suppressant), while quinoxalines are found in antitumor drugs like quinacrine and antibiotics like cinoxacin.
* **Thioether linkage:** This functional group is known to be involved in various biological processes, including redox reactions and protein interactions. It can influence the compound's pharmacokinetic properties, such as its absorption, distribution, metabolism, and excretion.
Therefore, this compound could potentially exhibit biological activities related to:
* **Central nervous system:** The piperidine ring could interact with neurotransmitter receptors, potentially leading to analgesic, anticonvulsant, or psychoactive effects.
* **Antimicrobial activity:** Quinoxaline-based compounds are known for their antimicrobial properties, which could be enhanced by the presence of the thioether group.
* **Anti-inflammatory activity:** The complex structure and potential interactions with various biological targets could lead to anti-inflammatory effects.
**To further explore its importance for research:**
* **Literature search:** Search scientific databases like PubMed, Scopus, and Google Scholar using the compound's name or related keywords.
* **Chemical databases:** Explore chemical databases like PubChem, ChemSpider, and Reaxys for information on its properties and potential applications.
* **Contact researchers:** Reach out to researchers working in related fields, such as medicinal chemistry, pharmacology, and drug discovery.
Remember that the potential biological activities of this compound are hypothetical and need to be validated through rigorous scientific research.
| ID Source | ID |
|---|---|
| PubMed CID | 935829 |
| CHEMBL ID | 1308605 |
| CHEBI ID | 121950 |
| Synonym |
|---|
| smr000148558 |
| 1-(4-methyl-piperidin-1-yl)-2-(3-methyl-quinoxalin-2-ylsulfanyl)-ethanone |
| MLS000557842 |
| CHEBI:121950 |
| AKOS002218474 |
| 1-(4-methylpiperidin-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanylethanone |
| 1-(4-methylpiperidin-1-yl)-2-[(3-methylquinoxalin-2-yl)sulfanyl]ethanone |
| STK978285 |
| CHEMBL1308605 |
| HMS2390I08 |
| 1-(4-methylpiperidin-1-yl)-2-((3-methylquinoxalin-2-yl)thio)ethanone |
| 573707-78-5 |
| F1316-0090 |
| AB00458399-08 |
| 1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone |
| Q27210570 |
| SR-01000011611-1 |
| sr-01000011611 |
| NCGC00295186-01 |
| Class | Description |
|---|---|
| quinoxaline derivative | Any naphthyridine derivative that is a derivative of quinoxaline (1,4-naphthyridine). |
| [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, Beta-lactamase | Escherichia coli K-12 | Potency | 16.2086 | 0.0447 | 17.8581 | 100.0000 | AID485294; AID485341 |
| Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 22.3872 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
| TDP1 protein | Homo sapiens (human) | Potency | 20.7329 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 17.9008 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
| muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 28.1838 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
| relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
| neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
| Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 13.8914 | 1.9953 | 25.5327 | 50.1187 | AID624287; AID624288 |
| Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 12.5893 | 1.0000 | 10.4756 | 28.1838 | AID1457; AID901 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1745845 | 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. |
| 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. |
| 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. |
| 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 | |||
| AID504787 | Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear rec | 2006 | Assay and drug development technologies, Jun, Volume: 4, Issue:3 | Development of the high throughput screening assay for identification of agonists of an orphan nuclear receptor. |
| 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. |
| AID1159607 | Screen for inhibitors of RMI FANCM (MM2) intereaction | 2016 | Journal of biomolecular screening, Jul, Volume: 21, Issue:6 | A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway. |
| [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 | 2 (28.57) | 29.6817 |
| 2010's | 4 (57.14) | 24.3611 |
| 2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||