Page last updated: 2024-12-10

1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxo-3-pyridinecarbonitrile

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

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.

Cross-References

ID SourceID
PubMed CID3638388
CHEMBL ID1504624
CHEBI ID105892

Synonyms (20)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
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 Targets (15)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency14.12540.177814.390939.8107AID2147
acid sphingomyelinaseHomo sapiens (human)Potency15.848914.125424.061339.8107AID504937
thioredoxin reductaseRattus norvegicus (Norway rat)Potency26.65140.100020.879379.4328AID588453; AID588456
ClpPBacillus subtilisPotency7.07951.995322.673039.8107AID651965
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686979
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency28.18380.011212.4002100.0000AID1030
PINK1Homo sapiens (human)Potency28.18382.818418.895944.6684AID624263
ParkinHomo sapiens (human)Potency28.18380.819914.830644.6684AID624263
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency3.54810.001815.663839.8107AID894
gemininHomo sapiens (human)Potency10.32250.004611.374133.4983AID624296
DNA dC->dU-editing enzyme APOBEC-3F isoform aHomo sapiens (human)Potency28.18380.025911.239831.6228AID602313
neuropeptide S receptor isoform AHomo sapiens (human)Potency10.00000.015812.3113615.5000AID1461
Guanine nucleotide-binding protein GHomo sapiens (human)Potency28.18381.995325.532750.1187AID624287; AID624288
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency14.10191.000010.475628.1838AID1457; AID901
[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)
endoribonuclease toxin MazFEscherichia coli str. K-12 substr. MG1655EC50 (µMol)70.45003.96009.515717.4000AID588481; AID588502
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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
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.
AID651635Viability 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]

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]