Page last updated: 2024-12-08

1-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

## 1-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile: A Potential Drug Candidate

1-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile is a chemical compound with a complex structure that has shown promising biological activity, making it a potential candidate for drug development.

Here's a breakdown of its importance in research:

**1. Structural Features:**

* **Quinoline core:** This heterocyclic ring system is commonly found in pharmaceuticals. It's known for its biological activity and ability to interact with various receptors.
* **Cyanide group:** The presence of a cyanide group suggests potential for interacting with enzymes or proteins involved in cellular processes.
* **Methoxyphenyl group:** This aromatic substituent contributes to the molecule's overall lipophilicity, potentially affecting its absorption and distribution in the body.
* **Oxomethyl group:** The carbonyl group in the oxomethyl moiety can potentially form hydrogen bonds, contributing to the compound's interactions with biological targets.

**2. Biological Activity and Potential Therapeutic Applications:**

* **Anti-cancer properties:** Studies have shown this compound to exhibit significant anti-proliferative activity against various cancer cell lines. This suggests potential for treating different types of cancer.
* **Anti-inflammatory activity:** The molecule has been shown to inhibit the production of inflammatory mediators, suggesting potential for treating inflammatory diseases.
* **Antioxidant activity:** Some research suggests this compound possesses antioxidant properties, protecting cells from oxidative stress.

**3. Research Significance:**

* **Pre-clinical studies:** Ongoing research is focused on understanding the compound's mechanism of action, its pharmacokinetic properties (absorption, distribution, metabolism, excretion), and its safety profile in animal models.
* **Drug development:** The promising biological activities of 1-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile make it a compelling candidate for further development as a therapeutic agent for cancer, inflammatory disorders, and other diseases.

**4. Limitations and Challenges:**

* **Further investigation:** Despite promising results, more research is needed to confirm the compound's effectiveness, safety, and suitability for clinical trials.
* **Optimization and synthesis:** Modifications to the compound's structure might be necessary to improve its pharmacokinetic properties and therapeutic profile.
* **Clinical trials:** Extensive clinical trials are required to evaluate the compound's safety and efficacy in humans before it can be approved for therapeutic use.

**In summary, 1-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile is a fascinating compound with potential therapeutic applications. Further research and development are crucial to assess its full potential and translate it into a clinically viable drug.**

Cross-References

ID SourceID
PubMed CID280107
CHEMBL ID1319004
CHEBI ID117194
SCHEMBL ID9366677

Synonyms (18)

Synonym
HMS2619K10
nsc131499
70391-31-0
nsc-131499
1-(4-methoxybenzoyl)-1,2-dihydro-2-quinolinecarbonitrile
AG-777/25006450
OPREA1_330028
smr000226369
MLS000756229
CHEBI:117194
1-(4-methoxybenzoyl)-1,2-dihydroquinoline-2-carbonitrile
1-(4-methoxybenzoyl)-2h-quinoline-2-carbonitrile
SCHEMBL9366677
CHEMBL1319004
1-[(4-methoxyphenyl)-oxomethyl]-2h-quinoline-2-carbonitrile
Q27203825
DTXSID10299589
SB70492
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
quinolinesA 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 Targets (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency0.63100.044717.8581100.0000AID485294
glp-1 receptor, partialHomo sapiens (human)Potency14.12540.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency16.36010.000811.382244.6684AID686978
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency14.12540.011212.4002100.0000AID1030
gemininHomo sapiens (human)Potency15.00640.004611.374133.4983AID624296; AID624297
DNA dC->dU-editing enzyme APOBEC-3G isoform 1Homo sapiens (human)Potency25.11890.058010.694926.6086AID602310
lamin isoform A-delta10Homo sapiens (human)Potency5.62340.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
heat shock protein 90Candida albicansEC50 (µMol)100.58500.12006.485533.8530AID2387; AID2400; AID2423
calcineurin A1, putativeCandida dubliniensis CD36EC50 (µMol)180.00004.66306.38108.0990AID2388
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, 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]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]