You're describing a chemical compound with a rather complex name, but it's likely you're referring to a molecule with potential medicinal properties.
Here's a breakdown:
* **1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfonyl]ethanone** is a long chemical name, but it's easier to understand if we break it down:
* **1-(3,4-dihydro-1H-isoquinolin-2-yl):** This part refers to a specific ring structure, a dihydroisoquinoline.
* **2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfonyl]ethanone:** This part describes a side chain attached to the isoquinoline ring. It contains an oxazole ring with various substituents, including a methylsulfonyl group and a methylphenyl group.
**Importance for Research:**
The exact reason why this specific compound is being researched is not clear without more context. However, based on its structure, it likely has potential applications in drug discovery and development. Here's why:
* **Isoquinolines and Oxazoles as Promising Drug Scaffolds:** Both isoquinolines and oxazoles are common heterocyclic ring systems found in many pharmaceuticals. They often exhibit biological activity, including:
* **Antimicrobial Activity:** Both rings can interfere with bacterial growth and metabolism.
* **Anti-cancer Activity:** They can inhibit tumor cell growth and proliferation.
* **Neurological Activity:** They can interact with neurotransmitters and receptors.
* **Methylsulfonyl and Methylphenyl Groups:** These substituents on the oxazole ring could be responsible for:
* **Increased Lipophilicity:** Making the compound more easily able to cross cell membranes.
* **Enhanced Biological Activity:** Modifying the compound's interaction with specific targets.
* **Ethanone (Ketone) Group:** This group often contributes to:
* **Metabolic Stability:** Increasing the compound's resistance to breakdown in the body.
* **Drug-like Properties:** Making the compound more suitable for oral administration.
**To understand the specific research area of this compound, you'd need more information, such as:**
* **The research institution or group involved:** Knowing the researchers' expertise could provide clues.
* **Published studies or patents:** These documents would describe the compound's specific biological targets, activity, and potential therapeutic uses.
* **The compound's code name or chemical identifier:** This can help you find relevant research publications.
If you can provide additional context, I might be able to give a more specific answer.
ID Source | ID |
---|---|
PubMed CID | 5309336 |
CHEMBL ID | 1423849 |
CHEBI ID | 121390 |
SCHEMBL ID | 12008344 |
Synonym |
---|
MLS000117702 , |
smr000094650 |
CHEBI:121390 |
2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one |
AKOS001831393 |
1-(3,4-dihydro-1h-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]ethanone |
MLS002587349 |
HMS2261P20 |
REGID_FOR_CID_5309336 |
cid_5309336 |
1-(3,4-dihydro-1h-isoquinolin-2-yl)-2-[[5-methyl-2-(p-tolyl)oxazol-4-yl]methylsulfonyl]ethanone |
bdbm45418 |
1-(3,4-dihydro-1h-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfonyl]ethanone |
SCHEMBL12008344 |
CHEMBL1423849 |
Q27209929 |
SR-01000129873-1 |
sr-01000129873 |
cid 5309336 |
Class | Description |
---|---|
1,3-oxazoles | |
[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 | 20.2208 | 0.0447 | 17.8581 | 100.0000 | AID485294; AID485341 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 31.6228 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 19.9526 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 18.4782 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 19.4763 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 25.1189 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 25.1189 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 1.5849 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 19.9526 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
67.9K protein | Vaccinia virus | Potency | 10.0000 | 0.0001 | 8.4406 | 100.0000 | AID720579 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 0.7943 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 79.4328 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 15.8489 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 12.5893 | 0.0398 | 16.7842 | 39.8107 | AID995 |
urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 11.2202 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
plasminogen precursor | Mus musculus (house mouse) | Potency | 11.2202 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 11.2202 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 14.1254 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 35.4813 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
trace amine-associated receptor 1 | Homo sapiens (human) | IC50 (µMol) | 5.4020 | 0.1571 | 3.8257 | 9.3940 | AID686984 |
Coagulation factor XII | Homo sapiens (human) | IC50 (µMol) | 50.0000 | 0.0104 | 3.8890 | 10.9666 | AID852 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
voltage-dependent T-type calcium channel subunit alpha-1H isoform a | Homo sapiens (human) | EC50 (µMol) | 2.2100 | 0.4340 | 4.8275 | 13.3000 | AID489005 |
trace amine-associated receptor 1 | Homo sapiens (human) | EC50 (µMol) | 2.2300 | 0.0685 | 2.1184 | 9.9700 | AID686985 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
serine-type endopeptidase activity | Coagulation factor XII | Homo sapiens (human) |
calcium ion binding | Coagulation factor XII | Homo sapiens (human) |
protein binding | Coagulation factor XII | Homo sapiens (human) |
misfolded protein binding | Coagulation factor XII | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
extracellular region | Coagulation factor XII | Homo sapiens (human) |
extracellular space | Coagulation factor XII | Homo sapiens (human) |
plasma membrane | Coagulation factor XII | Homo sapiens (human) |
collagen-containing extracellular matrix | Coagulation factor XII | Homo sapiens (human) |
extracellular exosome | Coagulation factor XII | Homo sapiens (human) |
extracellular space | Coagulation factor XII | Homo sapiens (human) |
rough endoplasmic reticulum | Coagulation factor XII | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | 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] |