Page last updated: 2024-12-09

2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone

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

**2-(4-Benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone** is a chemical compound that has shown promising activity as a **kinase inhibitor**.

Here's a breakdown of its structure and importance in research:

* **Structure:** The compound is a complex organic molecule containing a benzofuro[3,2-d]pyrimidine ring system attached to a thiophene ring via a sulfur atom. This specific arrangement of atoms gives it unique properties.

* **Kinase Inhibition:** Kinases are enzymes that play crucial roles in cell signaling pathways, regulating cell growth, differentiation, and survival.
* Many diseases, including cancer and inflammatory conditions, are driven by abnormal kinase activity.
* Compounds that inhibit specific kinases are therefore potential therapeutic agents.

* **Research Significance:** 2-(4-Benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone has been studied for its potential to inhibit specific kinases, particularly those involved in:
* **Cancer:** The compound has shown activity against certain cancer cell lines, suggesting it could be a potential anticancer drug.
* **Inflammation:** Some kinases play a role in inflammatory responses. Inhibition of these kinases could be beneficial in treating inflammatory conditions.

**Important Notes:**

* **Early Stage Research:** While promising, 2-(4-Benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone is still in the early stages of research. Further studies are needed to:
* **Determine its efficacy and safety in humans.**
* **Identify the specific kinases it targets.**
* **Develop drug formulations and delivery methods.**
* **Other Potential Applications:** The compound's unique structure and biological activity may also make it relevant in other areas of research, such as:
* **Agricultural chemistry:** Inhibition of specific kinases in plants could lead to improved crop yields or pest control.
* **Material science:** The compound's properties could be useful in designing new materials with specific functions.

**In summary, 2-(4-Benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone is a promising lead compound for the development of new kinase inhibitors with potential therapeutic applications in cancer, inflammation, and other areas.**

Cross-References

ID SourceID
PubMed CID664458
CHEMBL ID1347130
CHEBI ID121327

Synonyms (17)

Synonym
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(thiophen-2-yl)ethanone
STL345179
UPCMLD0ENAT5791973:001
smr000045449
MLS000040696 ,
CHEBI:121327
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-thiophen-2-ylethanone
AKOS001366972
HMS2178D23
CHEMBL1347130
2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone
2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(2-thienyl)ethanone
bdbm47062
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-thiophen-2-yl-ethanone
cid_664458
Z82167278
Q27209863
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzofurans
[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 (16)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency1.90120.007215.758889.3584AID588342
Nrf2Homo sapiens (human)Potency3.47200.09208.222223.1093AID624171; AID651593; AID651597
chaperonin-containing TCP-1 beta subunit homologHomo sapiens (human)Potency1,258.93013.981127.764939.8107AID504842
ATAD5 protein, partialHomo sapiens (human)Potency6.40520.004110.890331.5287AID504466; AID504467
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency2.81840.01262.451825.0177AID485313
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency3.26430.00419.984825.9290AID504444
ras-related protein Rab-9AHomo sapiens (human)Potency3.98110.00022.621531.4954AID485297
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency25.11890.00419.962528.1838AID2675
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency3.54810.251215.843239.8107AID504327
relaxin receptor 1 isoform 1Homo sapiens (human)Potency22.38720.038814.350143.6206AID2676
Guanine nucleotide-binding protein GHomo sapiens (human)Potency31.62281.995325.532750.1187AID624287
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency16.27101.000010.475628.1838AID1457; AID901
CREB-binding proteinHomo sapiens (human)Potency4.60110.02822.360012.5893AID907; AID916
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
photoreceptor-specific nuclear receptorHomo sapiens (human)IC50 (µMol)39.84100.03742.93408.9620AID2758
nuclear receptor corepressor 2 isoform 2Homo sapiens (human)IC50 (µMol)15.29401.02504.36119.9550AID2759
peroxisome proliferator-activated receptor gamma isoform 2Homo sapiens (human)IC50 (µMol)15.29401.02504.36119.9550AID2759
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (29)

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)
negative regulation of transcription by RNA polymerase IICREB-binding proteinHomo sapiens (human)
response to hypoxiaCREB-binding proteinHomo sapiens (human)
stimulatory C-type lectin receptor signaling pathwayCREB-binding proteinHomo sapiens (human)
chromatin remodelingCREB-binding proteinHomo sapiens (human)
regulation of DNA-templated transcriptionCREB-binding proteinHomo sapiens (human)
protein acetylationCREB-binding proteinHomo sapiens (human)
signal transductionCREB-binding proteinHomo sapiens (human)
canonical NF-kappaB signal transductionCREB-binding proteinHomo sapiens (human)
regulation of smoothened signaling pathwayCREB-binding proteinHomo sapiens (human)
negative regulation of transcription by RNA polymerase ICREB-binding proteinHomo sapiens (human)
N-terminal peptidyl-lysine acetylationCREB-binding proteinHomo sapiens (human)
positive regulation of transforming growth factor beta receptor signaling pathwayCREB-binding proteinHomo sapiens (human)
protein destabilizationCREB-binding proteinHomo sapiens (human)
cellular response to nutrient levelsCREB-binding proteinHomo sapiens (human)
cellular response to UVCREB-binding proteinHomo sapiens (human)
homeostatic processCREB-binding proteinHomo sapiens (human)
embryonic digit morphogenesisCREB-binding proteinHomo sapiens (human)
positive regulation of DNA-templated transcriptionCREB-binding proteinHomo sapiens (human)
positive regulation of transcription by RNA polymerase IICREB-binding proteinHomo sapiens (human)
rhythmic processCREB-binding proteinHomo sapiens (human)
protein-containing complex assemblyCREB-binding proteinHomo sapiens (human)
regulation of cellular response to heatCREB-binding proteinHomo sapiens (human)
positive regulation of protein localization to nucleusCREB-binding proteinHomo sapiens (human)
positive regulation of double-strand break repair via homologous recombinationCREB-binding proteinHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (21)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
transcription coactivator bindingCREB-binding proteinHomo sapiens (human)
p53 bindingCREB-binding proteinHomo sapiens (human)
chromatin bindingCREB-binding proteinHomo sapiens (human)
damaged DNA bindingCREB-binding proteinHomo sapiens (human)
transcription coactivator activityCREB-binding proteinHomo sapiens (human)
transcription corepressor activityCREB-binding proteinHomo sapiens (human)
histone acetyltransferase activityCREB-binding proteinHomo sapiens (human)
protein bindingCREB-binding proteinHomo sapiens (human)
zinc ion bindingCREB-binding proteinHomo sapiens (human)
acetyltransferase activityCREB-binding proteinHomo sapiens (human)
peptide N-acetyltransferase activityCREB-binding proteinHomo sapiens (human)
MRF bindingCREB-binding proteinHomo sapiens (human)
histone H3K18 acetyltransferase activityCREB-binding proteinHomo sapiens (human)
histone H3K27 acetyltransferase activityCREB-binding proteinHomo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingCREB-binding proteinHomo sapiens (human)
peptide-lysine-N-acetyltransferase activityCREB-binding proteinHomo sapiens (human)
peptide lactyltransferase activityCREB-binding proteinHomo sapiens (human)
DNA-binding transcription factor bindingCREB-binding proteinHomo sapiens (human)
chromatin DNA bindingCREB-binding proteinHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
cytoplasmCREB-binding proteinHomo sapiens (human)
nucleusCREB-binding proteinHomo sapiens (human)
nucleoplasmCREB-binding proteinHomo sapiens (human)
cytoplasmCREB-binding proteinHomo sapiens (human)
cytosolCREB-binding proteinHomo sapiens (human)
nuclear bodyCREB-binding proteinHomo sapiens (human)
chromatinCREB-binding proteinHomo sapiens (human)
histone acetyltransferase complexCREB-binding proteinHomo sapiens (human)
transcription regulator complexCREB-binding proteinHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (14)

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.
AID504787Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear rec2006Assay and drug development technologies, Jun, Volume: 4, Issue:3
Development of the high throughput screening assay for identification of agonists of an orphan nuclear receptor.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (33.33)29.6817
2010's3 (50.00)24.3611
2020's1 (16.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.41

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 Index12.41 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.41)

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%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]