The compound you've provided, **1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone**, is a complex organic molecule with a specific structure. This structure combines a piperidine ring, a quinazoline ring, and a thiophene ring with a carbonyl group and a thioether linkage.
However, without further context, it's impossible to definitively state its importance in research. It could be important for a variety of reasons, depending on its specific properties and potential applications. Here are some possibilities:
* **Pharmacology:** It could be a **potential drug candidate** with activity against specific biological targets. For example, it might be a **kinase inhibitor**, an **anti-inflammatory agent**, or a **neuroprotective compound**.
* **Materials science:** It could be a **building block** for the development of new materials, like **polymers** or **organic semiconductors**, due to its specific functional groups.
* **Synthesis and chemistry:** It could be a **useful intermediate** in the synthesis of other complex molecules, either as a starting material or a reagent.
* **Analytical chemistry:** It could be a **standard** or **reference compound** for calibrating analytical instruments or for developing new analytical methods.
To determine its specific importance, you would need more information about the research being conducted. Here are some questions to consider:
* **What research group or institution is studying this compound?**
* **What are the specific properties of the compound (e.g., melting point, solubility, spectral data)?**
* **What is the intended application of the compound?**
* **What are the results of the research on this compound?**
By answering these questions, you can gain a better understanding of why this compound is important in the specific context of the research being done.
ID Source | ID |
---|---|
PubMed CID | 3221486 |
CHEMBL ID | 1423516 |
CHEBI ID | 114870 |
Synonym |
---|
1-(3,5-dimethyl-piperidin-1-yl)-2-(2-thiophen-2-ylmethyl-quinazolin-4-ylsulfanyl)-ethanone |
smr000173434 |
MLS000558301 , |
CHEBI:114870 |
AKOS000684926 |
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(thiophen-2-ylmethyl)quinazolin-4-yl]sulfanylethanone |
HMS2481C04 |
MLS-0110680.0001 |
CHEMBL1423516 |
cid_3221486 |
bdbm89994 |
1-(3,5-dimethylpiperidino)-2-[[2-(2-thenyl)quinazolin-4-yl]thio]ethanone |
1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone |
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(thiophen-2-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone |
Q27196642 |
AKOS040828490 |
Class | Description |
---|---|
quinazolines | Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. |
[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 | 5.0173 | 0.0447 | 17.8581 | 100.0000 | AID485294; AID485341 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 39.8107 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 18.3564 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 24.8446 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 17.7828 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
glucocerebrosidase | Homo sapiens (human) | Potency | 15.8912 | 0.0126 | 8.1569 | 44.6684 | AID2101; AID2588; AID2590; AID2596; AID2671 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 0.7079 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
IDH1 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 32.6427 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 35.4813 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 35.4813 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
Fatty-acid amide hydrolase 1 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 0.6310 | 16.8420 | 44.6684 | AID2596 |
[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) |
---|---|---|---|---|---|---|---|
Mcl-1 | Homo sapiens (human) | IC50 (µMol) | 54.0000 | 0.4000 | 7.1344 | 54.0000 | AID1418 |
corticotropin-releasing hormone receptor 2 | Homo sapiens (human) | IC50 (µMol) | 4.9033 | 0.3680 | 7.0955 | 18.0000 | AID602180; AID651639; AID651649 |
corticotropin releasing factor-binding protein | Homo sapiens (human) | IC50 (µMol) | 4.9033 | 0.3680 | 7.0955 | 18.0000 | AID602180; AID651639; AID651649 |
Muscarinic acetylcholine receptor M1 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 2.7739 | 25.1700 | AID1418 |
Muscarinic acetylcholine receptor M3 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 2.8919 | 25.1700 | AID1418 |
Muscarinic acetylcholine receptor M4 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 2.7478 | 25.1700 | AID1418 |
Muscarinic acetylcholine receptor M5 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 2.7802 | 25.1700 | AID1418 |
Muscarinic acetylcholine receptor M2 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 3.3142 | 49.5000 | AID1418 |
[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) |
---|---|---|---|---|---|---|---|
corticotropin-releasing hormone receptor 2 | Homo sapiens (human) | EC50 (µMol) | 53.0000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
corticotropin releasing factor-binding protein | Homo sapiens (human) | EC50 (µMol) | 53.0000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
[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. |
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. |
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 | |||
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] |