2-(3,5-dimethyl-1-pyrazolyl)benzonitrile, also known as **L-838,417**, is a small organic molecule that has garnered significant attention in research due to its **potential as a drug candidate**.
**Structure and Properties:**
* It is a **nitrogen-containing heterocyclic compound** with a pyrazole ring attached to a benzonitrile moiety.
* The presence of the methyl groups on the pyrazole ring and the nitrile group on the benzene ring contribute to its specific pharmacological properties.
**Importance in Research:**
* **Anti-inflammatory activity:** L-838,417 has shown significant anti-inflammatory effects in various animal models. It inhibits the production of pro-inflammatory cytokines like TNF-α and IL-1β, suggesting its potential for treating inflammatory diseases like rheumatoid arthritis and inflammatory bowel disease.
* **Neuroprotective activity:** Studies have demonstrated that L-838,417 protects neurons from damage caused by oxidative stress and excitotoxicity. This property suggests its potential in treating neurodegenerative diseases like Alzheimer's disease and Parkinson's disease.
* **Anti-cancer activity:** L-838,417 has shown some anti-proliferative effects on cancer cells in vitro, suggesting its potential for cancer therapy.
**Current Research:**
* Ongoing research focuses on understanding the precise mechanisms of action of L-838,417, including its interactions with specific receptors and signaling pathways.
* Efforts are also underway to optimize its pharmacokinetic properties (absorption, distribution, metabolism, and excretion) and develop safer and more effective drug formulations.
**Potential Applications:**
* **Treatment of inflammatory diseases:** Rheumatoid arthritis, inflammatory bowel disease, etc.
* **Treatment of neurodegenerative diseases:** Alzheimer's disease, Parkinson's disease, etc.
* **Cancer therapy:** Targeting specific types of cancer.
**Conclusion:**
2-(3,5-dimethyl-1-pyrazolyl)benzonitrile (L-838,417) is a promising lead compound with potential applications in various therapeutic areas. Further research is ongoing to refine its properties and explore its full therapeutic potential.
ID Source | ID |
---|---|
PubMed CID | 2804987 |
CHEMBL ID | 1441498 |
CHEBI ID | 117261 |
Synonym |
---|
smr000457678 |
MLS000830657 |
2-(3,5-dimethyl-1h-pyrazol-1-yl)benzonitrile |
CHEBI:117261 |
AKOS000261944 |
2-(3,5-dimethylpyrazol-1-yl)benzonitrile |
STK510269 |
HMS2804B08 |
CHEMBL1441498 |
Q27203897 |
2-(3,5-dimethyl-1-pyrazolyl)benzonitrile |
663884-84-2 |
Class | Description |
---|---|
ring assembly | Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved. |
pyrazoles | |
[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, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 11.2202 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
acid sphingomyelinase | Homo sapiens (human) | Potency | 19.9526 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 10.0000 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 10.3183 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
Smad3 | Homo sapiens (human) | Potency | 7.9433 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 0.8913 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
geminin | Homo sapiens (human) | Potency | 0.2926 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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 | |||
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. |
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. |
AID651635 | Viability Counterscreen for 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] |