Page last updated: 2024-12-09

1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea

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

You're asking about a compound with a very specific chemical name: **1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea**. Let's break down what it is and why it might be important for research.

**Understanding the Structure**

* **Thiourea:** This is the core structure of the molecule. Thiourea is a sulfur-containing compound with the formula (NH2)2CS. It's known for its ability to form hydrogen bonds.
* **4-methyl-2-oxo-1-benzopyran-7-yl:** This is a substituent attached to one of the nitrogen atoms in the thiourea. It's a complex structure derived from a benzopyran ring system with a methyl group (CH3) at the 4-position and a carbonyl group (C=O) at the 2-position.
* **2-pyridinylmethyl:** This is another substituent attached to the other nitrogen atom of the thiourea. It's a derivative of pyridine, a six-membered ring with a nitrogen atom.

**Why It Might Be Important for Research**

The specific chemical structure you've described suggests a potential role in medicinal chemistry and drug discovery. Here's why:

* **Thiourea as a pharmacophore:** Thioureas are often found in drug molecules. They can interact with biological targets (proteins, enzymes) through hydrogen bonding and other interactions.
* **Substituted benzopyran:** Benzopyran derivatives are known for their biological activities. Some examples include:
* **Coumarin:** Used as a blood thinner and anticoagulant.
* **Flavonoids:** Antioxidants and potential anti-cancer agents.
* **Pyridine:** Pyridine derivatives are found in many drugs. For example, nicotinic acid (niacin) is a pyridine derivative used to treat high cholesterol.

**Speculation on Potential Applications**

Considering the structure and the known activities of its components, this compound could potentially be:

* **Anti-inflammatory:** Some benzopyrans have anti-inflammatory properties.
* **Anti-cancer:** Some thioureas and benzopyrans exhibit anti-cancer activities.
* **Antibacterial:** Some pyridine derivatives have antibacterial properties.

**Important Note:**

It's crucial to understand that without specific research data on this particular compound, any claims about its properties are purely speculative.

**To find out more about this specific compound and its potential applications, you would need to:**

* **Search scientific databases:** Databases like PubChem, SciFinder, or Reaxys can provide information on known properties of this compound.
* **Look for publications:** Search for research papers or patents that mention this specific compound.

Remember, the chemical name you provided is just a starting point for further investigation.

Cross-References

ID SourceID
PubMed CID970707
CHEMBL ID1609223
CHEBI ID108237

Synonyms (18)

Synonym
MLS000666415
smr000294241
n-(4-methyl-2-oxo-2h-chromen-7-yl)-n'-(2-pyridinylmethyl)thiourea
zinc00610240 ,
CBKINASE1_006273
1-(4-methyl-2-oxo-2h-chromen-7-yl)-3-(pyridin-2-ylmethyl)thiourea
STK460731
CBKINASE1_018673
CHEBI:108237
1-(4-methyl-2-oxochromen-7-yl)-3-(pyridin-2-ylmethyl)thiourea
BRD-K18529689-001-01-9
AKOS003361582
HMS2678L14
CHEMBL1609223
1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea
Q27186932
sr-01000277204
SR-01000277204-1
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
coumarins
[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)Potency28.18380.177814.390939.8107AID2147
acid sphingomyelinaseHomo sapiens (human)Potency25.118914.125424.061339.8107AID504937
ATAD5 protein, partialHomo sapiens (human)Potency29.08100.004110.890331.5287AID504467
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency19.95260.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency28.18380.011212.4002100.0000AID1030
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency79.43280.707936.904389.1251AID504333
alpha-galactosidaseHomo sapiens (human)Potency35.48134.466818.391635.4813AID2107
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency44.66840.036619.637650.1187AID1466; AID2242
histone-lysine N-methyltransferase 2A isoform 2 precursorHomo sapiens (human)Potency35.48130.010323.856763.0957AID2662
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency12.58930.00798.23321,122.0200AID2551
gemininHomo sapiens (human)Potency17.44880.004611.374133.4983AID624296; AID624297
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency44.66843.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency44.66843.548118.039535.4813AID1466
Guanine nucleotide-binding protein GHomo sapiens (human)Potency50.11871.995325.532750.1187AID624287
[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
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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]