Page last updated: 2024-12-10

1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester

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

That's a mouthful! Let's break down the compound and its potential significance for research:

**Compound Description:**

* **1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester** is a complex organic molecule with several key features:
* **Dipyrido[3,4-c-1',2'-f]pyrimidine:** This is the core structure, a fused ring system containing two pyridine rings. It is known to be a common scaffold for many biologically active compounds.
* **10-methyl-5-oxo:** These groups likely indicate the position and type of substituents on the pyrimidine ring.
* **1-butyl:** A straight-chain alkyl group (four carbons) attached at position 1 on the pyrimidine ring.
* **2-[2-furanyl(oxo)methyl]imino:** This is a more complex substituent. Furanyl refers to a furan ring (a five-membered ring with one oxygen atom), and (oxo)methyl indicates a carbonyl group (C=O) connected to a methylene group (CH2). The imino indicates that this group is connected to the pyrimidine ring through a nitrogen atom.
* **Carboxylic acid ethyl ester:** This is a functional group that is commonly found in pharmaceuticals. It's a carboxylic acid (COOH) that has been modified by attaching an ethyl group (CH3CH2).

**Potential Importance for Research:**

It's impossible to know for sure without more context, but this compound's structure suggests it could be interesting for research in several areas:

* **Medicinal Chemistry:** The compound's core structure and functional groups are common in pharmaceuticals. It might possess biological activity that could be valuable in developing new drugs.
* **Drug Discovery:** Researchers often synthesize and screen large libraries of compounds, like this one, to identify potential lead candidates for drug development.
* **Organic Chemistry:** The complex structure of this compound could present a synthetic challenge, making it interesting for synthetic chemists to explore new reaction pathways and develop efficient synthetic methods.
* **Material Science:** The compound's properties, such as its potential to form crystals or interact with other materials, could make it useful in developing new materials with specific applications.

**Finding More Information:**

To learn more about this specific compound, you would need to consult scientific databases or research articles that mention it. Searching for its chemical name or structure would help you find relevant information.

Remember, the compound's significance will depend on the specific context of its research or application.

Cross-References

ID SourceID
PubMed CID3474998
CHEMBL ID3189616
CHEBI ID107328

Synonyms (12)

Synonym
smr000436188
1-butyl-2-[(z)-furan-2-carbonylimino]-8-methyl-10-oxo-1,10-dihydro-2h-1,9,10a-triaza-anthracene-3-car boxylic acid ethyl ester
MLS000332805
CHEBI:107328
ethyl (2z)-1-butyl-2-[(furan-2-ylcarbonyl)imino]-10-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
STK872530
AKOS005635012
HMS2789K03
CHEMBL3189616
1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxylic acid ethyl ester
Q27185558
ethyl 7-butyl-6-(furan-2-carbonylimino)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
pyridopyrimidineAny organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring.
[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 (17)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency0.01780.003245.467312,589.2998AID2517
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency22.38720.177814.390939.8107AID2147
acid sphingomyelinaseHomo sapiens (human)Potency25.118914.125424.061339.8107AID504937
glp-1 receptor, partialHomo sapiens (human)Potency0.79430.01846.806014.1254AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency44.66840.100020.879379.4328AID588456
TDP1 proteinHomo sapiens (human)Potency19.46220.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency11.22020.180013.557439.8107AID1460
Smad3Homo sapiens (human)Potency3.54810.00527.809829.0929AID588855
alpha-galactosidaseHomo sapiens (human)Potency44.66844.466818.391635.4813AID2107
chromobox protein homolog 1Homo sapiens (human)Potency89.12510.006026.168889.1251AID540317
importin subunit beta-1 isoform 1Homo sapiens (human)Potency5.62345.804836.130665.1308AID540253
snurportin-1Homo sapiens (human)Potency5.62345.804836.130665.1308AID540253
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency5.62345.804816.996225.9290AID540253
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency7.94330.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency7.94330.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency7.94330.15855.287912.5893AID540303
gemininHomo sapiens (human)Potency12.43470.004611.374133.4983AID624296; AID624297
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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
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.
AID1745845Primary 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]