You're asking about a compound with the rather complex name: **1-[(3-chlorophenyl)methyl]-3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-2-pyridinone**. While I can't give you specific details on its importance in research, I can break down the structure and provide information on why compounds like this are generally of interest.
**Breaking Down the Name:**
* **1-[(3-chlorophenyl)methyl]-:** This part indicates a 3-chlorophenyl group (a benzene ring with a chlorine atom at the 3rd position) attached to a methylene group (CH2) which is then connected to the first position of the next part of the molecule.
* **3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-:** This part is a bit more complex. It refers to a 1,3,4-oxadiazole ring (a five-membered ring containing an oxygen, nitrogen, and two carbon atoms) with a methylthio group (CH3S) attached to the 5th position and the whole oxadiazole ring attached to the 3rd position of the next part of the molecule.
* **2-pyridinone:** This part is a pyridinone ring, which is a six-membered ring containing a nitrogen atom and a carbonyl group (C=O). The '2' indicates the carbonyl group is at the 2nd position of the ring.
**Why Compounds Like This Are Important:**
Compounds containing heterocyclic rings (rings with atoms other than carbon) like this are often investigated for their potential biological activity for various reasons:
* **Structural Diversity:** Heterocycles offer a wide range of possible structures and functional groups, allowing for the development of compounds with diverse shapes and properties. This diversity allows for the exploration of different binding interactions with biological targets.
* **Potential Therapeutic Applications:** Many drugs and drug candidates contain heterocyclic rings. They can exhibit various biological activities, including:
* **Antimicrobial activity:** Targeting bacterial or fungal infections.
* **Antiviral activity:** Inhibiting viral replication.
* **Anti-inflammatory activity:** Reducing inflammation in the body.
* **Anticancer activity:** Targeting cancerous cells.
* **Central Nervous System (CNS) activity:** Affecting brain function and behavior.
**To Find Specific Information:**
* **Search PubChem:** You can search for the full compound name on PubChem (https://pubchem.ncbi.nlm.nih.gov/) to see if there is any data available about its biological activity or any research articles mentioning it.
* **Search Scientific Databases:** Use keywords like 1,3,4-oxadiazole, pyridinone, and biological activity in scientific databases like PubMed (https://pubmed.ncbi.nlm.nih.gov/) to find relevant research articles.
**Remember:** Researching the properties and importance of specific compounds requires access to scientific databases and knowledge of chemical nomenclature.
ID Source | ID |
---|---|
PubMed CID | 2766582 |
CHEMBL ID | 1423621 |
CHEBI ID | 116371 |
Synonym |
---|
1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one |
smr000336986 |
1-(3-chlorobenzyl)-3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]-2(1h)-pyridinone |
MLS000721841 |
CHEBI:116371 |
AKOS005077110 |
HMS2718L03 |
400074-83-1 |
11E-309S |
1-[(3-chlorophenyl)methyl]-3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]-1,2-dihydropyridin-2-one |
CHEMBL1423621 |
1-[(3-chlorophenyl)methyl]-3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-2-pyridinone |
Q27199254 |
DTXSID201326562 |
Class | Description |
---|---|
aryl sulfide | Any organic sulfide in which the sulfur is attached to at least one aromatic group. |
[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, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 100.0000 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 28.1838 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
acid sphingomyelinase | Homo sapiens (human) | Potency | 25.1189 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 31.6228 | 0.1000 | 20.8793 | 79.4328 | AID588456 |
TDP1 protein | Homo sapiens (human) | Potency | 23.1093 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 35.4813 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
glucocerebrosidase | Homo sapiens (human) | Potency | 17.7828 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
alpha-galactosidase | Homo sapiens (human) | Potency | 31.6228 | 4.4668 | 18.3916 | 35.4813 | AID1467 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 39.8107 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 28.1838 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 95.2834 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 28.1838 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 28.1838 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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. |
AID651635 | Viability Counterscreen for 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. |
[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] |