1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxo-3-pyridinecarbonitrile is a complex organic molecule with a rather long and specific name. It's likely a synthetic compound, and without more context, it's difficult to say exactly why it's important for research. However, based on its structure and the names of its components, we can make some educated guesses:
**Structure and Components:**
* **Pyridinecarbonitrile:** The core of the molecule is a pyridine ring with a nitrile group (CN) attached. Pyridine rings are common in pharmaceuticals and have a variety of biological activities.
* **2-oxo:** This indicates that the molecule has a ketone group at position 2 on the pyridine ring. Ketones are also important functional groups in pharmaceuticals and can contribute to drug activity.
* **(2,6-dichlorophenyl)methyl:** This part of the molecule suggests that it might have a phenyl ring with chlorine atoms in the 2 and 6 positions, attached to the pyridine ring through a methylene group (CH2).
* **5-(4-methylphenyl):** This indicates that there's a substituted phenyl ring with a methyl group at position 4, connected at position 5 of the pyridine ring.
**Potential Importance for Research:**
Given these structural features, it's plausible that this molecule might be of interest in the following areas of research:
* **Pharmaceutical development:** The presence of a pyridine ring, ketone group, and aromatic substituents suggests that the molecule could have potential for biological activity. It might be investigated as a potential drug candidate for treating diseases like cancer, inflammation, or infections.
* **Materials science:** Some organic molecules with similar structural features have shown interesting optical or electronic properties. This molecule might be studied for its potential applications in organic electronics, sensors, or other materials applications.
* **Chemical synthesis:** This molecule might be used as a starting material or reagent in the synthesis of other complex molecules with interesting biological or chemical properties.
**To understand the exact importance of this specific molecule, you would need more context:**
* **What is the research question or goal?**
* **What specific properties are being investigated?**
* **How was the molecule synthesized and characterized?**
By providing more details about the context of the research, we can better understand the significance of this molecule.
ID Source | ID |
---|---|
PubMed CID | 3638388 |
CHEMBL ID | 1504624 |
CHEBI ID | 105892 |
Synonym |
---|
MLS000325532 , |
smr000169821 |
1-(2,6-dichlorobenzyl)-5-(4-methylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile |
BIONET1_001663 |
OPREA1_499298 |
CHEBI:105892 |
HMS572P05 |
AKOS005097199 |
1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxopyridine-3-carbonitrile |
HMS2456C17 |
CHEMBL1504624 |
6J-588S |
338964-95-7 |
1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile |
1-(2,6-dichlorobenzyl)-2-keto-5-(p-tolyl)nicotinonitrile |
cid_3638388 |
1-[[2,6-bis(chloranyl)phenyl]methyl]-5-(4-methylphenyl)-2-oxidanylidene-pyridine-3-carbonitrile |
1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxo-3-pyridinecarbonitrile |
bdbm83523 |
Q27183680 |
Class | Description |
---|---|
phenylpyridine | |
[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 | 14.1254 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
acid sphingomyelinase | Homo sapiens (human) | Potency | 15.8489 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 26.6514 | 0.1000 | 20.8793 | 79.4328 | AID588453; AID588456 |
ClpP | Bacillus subtilis | Potency | 7.0795 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686979 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
PINK1 | Homo sapiens (human) | Potency | 28.1838 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
Parkin | Homo sapiens (human) | Potency | 28.1838 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 3.5481 | 0.0018 | 15.6638 | 39.8107 | AID894 |
geminin | Homo sapiens (human) | Potency | 10.3225 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 28.1838 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 28.1838 | 1.9953 | 25.5327 | 50.1187 | AID624287; AID624288 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 14.1019 | 1.0000 | 10.4756 | 28.1838 | AID1457; AID901 |
[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) |
---|---|---|---|---|---|---|---|
endoribonuclease toxin MazF | Escherichia coli str. K-12 substr. MG1655 | EC50 (µMol) | 70.4500 | 3.9600 | 9.5157 | 17.4000 | AID588481; AID588502 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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 | |||
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. |
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] |