The compound you described, **1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-oxolanylmethyl)urea**, is a synthetic molecule. It's important to understand that naming chemical compounds can be complex, and this name likely refers to a specific research compound, not a widely known drug or natural product.
Here's a breakdown of the information we can glean from the name:
* **Structure:** The name gives clues about the structure of the molecule:
* **Urea:** This is the core of the molecule, a simple organic compound with the formula (NH₂)₂CO.
* **(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl:** This part refers to a substituted quinoline ring system. Quinoline is a heterocyclic aromatic compound, and the substituents 6-methoxy and 2-oxo indicate the presence of a methoxy group (OCH₃) at the 6th position and a ketone group (C=O) at the 2nd position. 1H indicates the presence of a hydrogen atom on the nitrogen at the 1st position. The methyl part indicates a CH₃ group attached to the quinoline ring.
* **(4-methoxyphenyl):** This describes a benzene ring with a methoxy group at the 4th position.
* **(2-oxolanylmethyl):** This part is a bit more complex, likely describing a substituted oxolane (tetrahydrofuran) ring system.
* **Importance in Research:**
* **Potential Bioactivity:** The specific structure of the molecule suggests it might possess interesting biological activity. Quinoline derivatives are known to have a range of pharmacological properties, including anti-inflammatory, antimicrobial, and anticancer activities. The presence of methoxy groups can further influence their biological effects.
* **Lead Compound:** It's likely this compound was synthesized in a research lab as part of a drug discovery program. It might be a lead compound, meaning it shows some promising activity, but needs further optimization (like changing substituents) to improve its effectiveness and safety.
* **Structure-Activity Relationship Studies:** Chemists often synthesize a series of related compounds (analogs) like this one to study how changing the structure affects their activity. This is called a structure-activity relationship (SAR) study, and it helps them understand how the molecule interacts with its target and design even more effective compounds.
**To learn more about the importance of this specific compound, you would need to find the relevant research publication or contact the researchers who synthesized and studied it.**
Please keep in mind:
* **Chemical names are often long and complex.** If you have access to a chemical structure database (like PubChem or SciFinder), you can search using the name to find the corresponding structure and additional information.
* **Without a research context, it's impossible to determine the exact significance of this specific compound.**
ID Source | ID |
---|---|
PubMed CID | 649027 |
CHEMBL ID | 1423571 |
CHEBI ID | 112793 |
Synonym |
---|
smr000004135 |
OPREA1_119115 |
1-(6-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-(4-methoxy-phenyl)-1-(tetrahydro-furan-2-ylmethyl)-urea |
MLS000072502 , |
MLS001368512 |
CHEBI:112793 |
1-[(6-methoxy-2-oxo-1h-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea |
AKOS000783100 |
HMS2190J21 |
CHEMBL1423571 |
Q27193211 |
1-[(6-methoxy-2-oxo-1h-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-oxolanylmethyl)urea |
sr-01000338201 |
SR-01000338201-1 |
Class | Description |
---|---|
quinolines | A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring. |
[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, HADH2 protein | Homo sapiens (human) | Potency | 31.6228 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 31.6228 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 31.6228 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
ClpP | Bacillus subtilis | Potency | 31.6228 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
15-lipoxygenase, partial | Homo sapiens (human) | Potency | 19.9526 | 0.0126 | 10.6917 | 88.5700 | AID887 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 70.7946 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 10.3225 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 17.5645 | 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 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 0.0018 | 15.6638 | 39.8107 | AID894 |
[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. |
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. |
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. |
AID1745845 | 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. |
[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] |