## 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.**
ID Source | ID |
---|---|
PubMed CID | 280107 |
CHEMBL ID | 1319004 |
CHEBI ID | 117194 |
SCHEMBL ID | 9366677 |
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 |
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, Beta-lactamase | Escherichia coli K-12 | Potency | 0.6310 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 14.1254 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
TDP1 protein | Homo sapiens (human) | Potency | 16.3601 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 14.1254 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
geminin | Homo sapiens (human) | Potency | 15.0064 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0580 | 10.6949 | 26.6086 | AID602310 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 5.6234 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
[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) |
---|---|---|---|---|---|---|---|
heat shock protein 90 | Candida albicans | EC50 (µMol) | 100.5850 | 0.1200 | 6.4855 | 33.8530 | AID2387; AID2400; AID2423 |
calcineurin A1, putative | Candida dubliniensis CD36 | EC50 (µMol) | 180.0000 | 4.6630 | 6.3810 | 8.0990 | AID2388 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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] |