You're describing a chemical compound with a rather complex structure. Let's break it down:
**[4-[[5-(2,4-dichlorophenyl)-3-isoxazolyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone**
* **Core Structure:** The core structure consists of a piperazine ring (a 6-membered ring with nitrogen atoms at positions 1 and 4) attached to a furanyl group (a 5-membered ring containing oxygen) via a carbonyl group (C=O).
* **Substitutions:** The piperazine ring has a complex substituent at position 4, which includes:
* **Oxomethyl (C(=O)CH3):** A carbonyl group linked to a methyl group.
* **[5-(2,4-dichlorophenyl)-3-isoxazolyl]:** This substituent is an isoxazole ring (a 5-membered ring containing nitrogen and oxygen) with a 2,4-dichlorophenyl group (a benzene ring with chlorine atoms at positions 2 and 4) attached at position 5.
**Why is it Important for Research?**
The specific chemical structure of this compound suggests it might be a **potential drug candidate**. It's likely that researchers have synthesized it for testing as a:
* **Pharmacological Agent:** The complex structure with various functional groups can interact with biological systems, potentially influencing:
* **Enzyme activity:** This compound could be a potential inhibitor or activator of certain enzymes involved in disease processes.
* **Receptor binding:** It could bind to specific receptors, leading to changes in cell signaling pathways.
* **Other biological functions:** The compound's properties could have broader effects on cellular processes.
**To learn more:**
* **Chemical Databases:** Search chemical databases (e.g., PubChem, ChemSpider) using the full chemical name or a partial structure.
* **Scientific Literature:** Use keywords like isoxazole, piperazine, furan, drug discovery, and pharmacology in a scientific search engine (e.g., PubMed, Google Scholar) to find relevant research papers.
Remember: It's crucial to consult scientific literature and databases to obtain accurate information about this specific compound and its potential applications.
ID Source | ID |
---|---|
PubMed CID | 1093845 |
CHEMBL ID | 1543285 |
CHEBI ID | 114498 |
Synonym |
---|
MLS000529462 |
[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-[4-(furan-2-carbonyl)-piperazin-1-yl]-methanone |
smr000121937 |
BAS 09530051 |
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl][4-(furan-2-ylcarbonyl)piperazin-1-yl]methanone |
STK341329 |
CHEBI:114498 |
AKOS000559446 |
[4-[5-(2,4-dichlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone |
HMS2345D12 |
CHEMBL1543285 |
[4-[[5-(2,4-dichlorophenyl)-3-isoxazolyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone |
Q27195901 |
Class | Description |
---|---|
dichlorobenzene | Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions. |
[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 | 19.3218 | 0.0447 | 17.8581 | 100.0000 | AID485294; AID485341 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 12.5893 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 39.8107 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 30.1313 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 3.1623 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 20.5962 | 0.0008 | 11.3822 | 44.6684 | AID686979 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 2.8184 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 10.0000 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 44.6684 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 10.0000 | 0.0018 | 15.6638 | 39.8107 | AID894 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 14.1254 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 6.3096 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 17.7828 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
intracellular non-membrane-bounded organelle | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleus | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
perichromatin fibrils | TAR DNA-binding protein 43 | Homo sapiens (human) |
mitochondrion | TAR DNA-binding protein 43 | Homo sapiens (human) |
cytoplasmic stress granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nuclear speck | TAR DNA-binding protein 43 | Homo sapiens (human) |
interchromatin granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
chromatin | TAR DNA-binding protein 43 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
[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] |