Page last updated: 2024-12-10

2-(2-furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile

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

2-(2-furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile is a complex organic molecule with a rather long and specific chemical name. Its importance lies in its potential applications in various research areas, particularly in medicinal chemistry and pharmaceutical research.

Here's a breakdown:

**Structure and Properties:**

* **Pyrimidine core:** The molecule is built around a pyrimidine ring system, which is a common structural motif found in many biologically active compounds, including DNA and RNA.
* **Substituents:** The pyrimidine ring is adorned with various substituents:
* **2-furanyl:** A furan ring attached at position 2. Furans are known for their aromatic properties and potential biological activity.
* **4-mercapto:** A sulfur-containing group (mercapto) at position 4. These groups often contribute to the molecule's ability to bind to specific targets.
* **3-(4-methylphenyl):** A phenyl ring (benzene ring) with a methyl group attached at position 4, connected at position 3 on the pyrimidine ring. These substituents are important for modifying the molecule's shape and potential interactions with biological systems.
* **6-oxo:** A carbonyl group (C=O) at position 6. Carbonyl groups often contribute to the molecule's polarity and hydrogen bonding capabilities.
* **5-carbonitrile:** A nitrile group (C≡N) at position 5. Nitriles are often used in organic synthesis and can contribute to the molecule's reactivity.

**Importance in Research:**

* **Potential medicinal applications:** The specific combination of functional groups within this molecule could lead to interesting biological activity. This molecule might exhibit properties that are relevant to a variety of disease targets, such as:
* **Anti-cancer:** The presence of the mercapto group could potentially lead to cytotoxic activity, inhibiting the growth of cancer cells.
* **Anti-inflammatory:** The structure might allow for interactions with inflammatory pathways, potentially leading to anti-inflammatory properties.
* **Anti-bacterial/anti-viral:** The furan ring and other substituents might exhibit antimicrobial properties.
* **Other therapeutic applications:** Further research could reveal other potential uses in various areas of medicine.
* **Pharmaceutical development:** Researchers might use this molecule as a starting point for developing new drugs by synthesizing analogues with slight modifications to its structure. These modifications could lead to improved pharmacological properties, such as increased potency, selectivity, or bioavailability.
* **Chemical biology and drug discovery:** The molecule can serve as a valuable tool for understanding the structure-activity relationships of pyrimidine-based compounds and exploring their potential as drug candidates.

**Key Points:**

* The specific structure of 2-(2-furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile suggests potential biological activity.
* Its research significance lies in its potential applications in medicinal chemistry, drug discovery, and chemical biology.
* Further research is needed to fully understand its biological properties and explore its potential therapeutic uses.

Remember, this molecule is just one example within a vast landscape of organic compounds with potential pharmaceutical applications. The world of drug discovery is a complex and exciting field where researchers constantly strive to identify and develop new molecules with the power to treat diseases and improve human health.

Cross-References

ID SourceID
PubMed CID4648501
CHEMBL ID1526219
CHEBI ID104950

Synonyms (15)

Synonym
MLS000624573
smr000323527
CHEBI:104950
AKOS002218808
2-(furan-2-yl)-3-(4-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
STK950101
2-(furan-2-yl)-1-(4-methylphenyl)-4-oxo-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
2-(furan-2-yl)-6-mercapto-4-oxo-1-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
F1762-0056
AKOS016128986
CHEMBL1526219
Q27182619
2-(2-furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
sr-01000014944
SR-01000014944-1
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
toluenesAny member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group.
[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 (18)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency2.51190.044717.8581100.0000AID485294
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency15.81140.140911.194039.8107AID2451
LuciferasePhotinus pyralis (common eastern firefly)Potency37.93300.007215.758889.3584AID588342
thioredoxin reductaseRattus norvegicus (Norway rat)Potency3.98110.100020.879379.4328AID588453
TDP1 proteinHomo sapiens (human)Potency20.73290.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency25.28550.180013.557439.8107AID1460; AID1468
Smad3Homo sapiens (human)Potency35.48130.00527.809829.0929AID588855
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency22.38720.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency35.48130.011212.4002100.0000AID1030
regulator of G-protein signaling 4Homo sapiens (human)Potency79.43280.531815.435837.6858AID504845
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency28.18380.035520.977089.1251AID504332
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency50.11870.036619.637650.1187AID1466; AID2242
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency39.81070.354828.065989.1251AID504847
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency15.84890.00798.23321,122.0200AID2551
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency50.11873.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency50.11873.548118.039535.4813AID1466
Guanine nucleotide-binding protein GHomo sapiens (human)Potency2.51191.995325.532750.1187AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
glycogen synthase kinase-3 alphaHomo sapiens (human)AC50300.00000.013529.7434171.7000AID463203
[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
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
[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]