Page last updated: 2024-12-10

[4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone

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

The compound you've provided is **[4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone**. It's a complex organic molecule with a rather long and descriptive chemical name.

To understand its significance, let's break down its structure and potential applications:

**Structure:**

* **Piperazine Ring:** This six-membered ring with two nitrogen atoms is a common scaffold in medicinal chemistry. It can interact with biological targets, making it a good starting point for drug development.
* **2,3-dimethylphenyl:** This is a substituted benzene ring, providing structural diversity and potentially influencing the compound's properties.
* **Furan Ring:** This five-membered ring containing oxygen is known to exhibit diverse biological activities.
* **Sulfonylmethyl Group:** This group containing sulfur and oxygen can contribute to the compound's binding affinity to specific targets.
* **Methoxyphenyl Group:** This aromatic group, including a methoxy (OCH3) substituent, can further enhance binding interactions.

**Potential Importance in Research:**

The specific importance of this compound depends on its biological activity, which is unknown based solely on the chemical name. However, its structure suggests several possibilities:

* **Drug Candidate:** The presence of various pharmacophores (functional groups with specific biological effects) and the piperazine ring, commonly found in drugs, makes this compound a potential candidate for pharmaceutical research. It could be evaluated for its activity against various diseases.
* **Probing Biological Targets:** This compound could be used as a probe to study the interactions of different functional groups with specific biological targets. Understanding these interactions is crucial for designing new drugs.
* **Materials Science:** The presence of diverse functionalities might make this compound interesting for materials science applications. For example, it could be used in polymer synthesis or as a component in organic electronics.

**To definitively determine its importance in research, one needs to conduct further investigations:**

* **Synthesize the compound:** This is the first step to investigate its properties.
* **Biological activity studies:** Testing the compound against different biological targets and disease models can reveal its therapeutic potential.
* **Structure-activity relationship (SAR) studies:** Varying the structure of the compound systematically can help identify the key functional groups responsible for its activity.

In summary, [4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone is a complex organic molecule with the potential for diverse applications in research. Its actual importance will depend on the results of further investigations.

Cross-References

ID SourceID
PubMed CID4092553
CHEMBL ID1529669
CHEBI ID123370

Synonyms (15)

Synonym
MLS000120226 ,
smr000097143
MLS001073750
MLS000878723
CHEBI:123370
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone
AKOS002119851
HMS2258D07
[4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone
[4-(2,3-dimethylphenyl)piperazino]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furyl]methanone
cid_4092553
bdbm37174
CHEMBL1529669
1-(2,3-dimethylphenyl)-4-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}piperazine
Q27213078
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
piperazines
[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 (29)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency16.59780.044717.8581100.0000AID485294; AID485341
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency56.23410.631035.7641100.0000AID504339
Chain A, CruzipainTrypanosoma cruziPotency25.11890.002014.677939.8107AID1476
glp-1 receptor, partialHomo sapiens (human)Potency7.94330.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency16.36010.004110.890331.5287AID504466; AID504467
USP1 protein, partialHomo sapiens (human)Potency0.70790.031637.5844354.8130AID743255
TDP1 proteinHomo sapiens (human)Potency22.72650.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency25.11890.180013.557439.8107AID1460
thioredoxin glutathione reductaseSchistosoma mansoniPotency50.11870.100022.9075100.0000AID485364
Smad3Homo sapiens (human)Potency17.78280.00527.809829.0929AID588855
thyroid stimulating hormone receptorHomo sapiens (human)Potency15.84890.001318.074339.8107AID926
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency29.09290.00419.984825.9290AID504444
huntingtin isoform 2Homo sapiens (human)Potency14.12540.000618.41981,122.0200AID1688
importin subunit beta-1 isoform 1Homo sapiens (human)Potency2.05965.804836.130665.1308AID540253
mitogen-activated protein kinase 1Homo sapiens (human)Potency39.81070.039816.784239.8107AID995
snurportin-1Homo sapiens (human)Potency2.05965.804836.130665.1308AID540253
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency2.05965.804816.996225.9290AID540253
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency22.38720.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency22.38720.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency22.38720.15855.287912.5893AID540303
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency35.48130.00798.23321,122.0200AID2551
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency31.62280.075215.225339.8107AID485360
gemininHomo sapiens (human)Potency11.59460.004611.374133.4983AID624296; AID624297
survival motor neuron protein isoform dHomo sapiens (human)Potency25.11890.125912.234435.4813AID1458
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency3.54810.00419.962528.1838AID2675
lethal factor (plasmid)Bacillus anthracis str. A2012Potency31.62280.020010.786931.6228AID912
lamin isoform A-delta10Homo sapiens (human)Potency31.62280.891312.067628.1838AID1487
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency10.00001.000010.475628.1838AID1457
TAR DNA-binding protein 43Homo sapiens (human)Potency25.11891.778316.208135.4813AID652104
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (18)

Processvia Protein(s)Taxonomy
negative regulation of protein phosphorylationTAR DNA-binding protein 43Homo sapiens (human)
mRNA processingTAR DNA-binding protein 43Homo sapiens (human)
RNA splicingTAR DNA-binding protein 43Homo sapiens (human)
negative regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
regulation of protein stabilityTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of insulin secretionTAR DNA-binding protein 43Homo sapiens (human)
response to endoplasmic reticulum stressTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of protein import into nucleusTAR DNA-binding protein 43Homo sapiens (human)
regulation of circadian rhythmTAR DNA-binding protein 43Homo sapiens (human)
regulation of apoptotic processTAR DNA-binding protein 43Homo sapiens (human)
negative regulation by host of viral transcriptionTAR DNA-binding protein 43Homo sapiens (human)
rhythmic processTAR DNA-binding protein 43Homo sapiens (human)
regulation of cell cycleTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA destabilizationTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA stabilizationTAR DNA-binding protein 43Homo sapiens (human)
nuclear inner membrane organizationTAR DNA-binding protein 43Homo sapiens (human)
amyloid fibril formationTAR DNA-binding protein 43Homo sapiens (human)
regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (10)

Processvia Protein(s)Taxonomy
RNA polymerase II cis-regulatory region sequence-specific DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
double-stranded DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
RNA bindingTAR DNA-binding protein 43Homo sapiens (human)
mRNA 3'-UTR bindingTAR DNA-binding protein 43Homo sapiens (human)
protein bindingTAR DNA-binding protein 43Homo sapiens (human)
lipid bindingTAR DNA-binding protein 43Homo sapiens (human)
identical protein bindingTAR DNA-binding protein 43Homo sapiens (human)
pre-mRNA intronic bindingTAR DNA-binding protein 43Homo sapiens (human)
molecular condensate scaffold activityTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
intracellular non-membrane-bounded organelleTAR DNA-binding protein 43Homo sapiens (human)
nucleusTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
perichromatin fibrilsTAR DNA-binding protein 43Homo sapiens (human)
mitochondrionTAR DNA-binding protein 43Homo sapiens (human)
cytoplasmic stress granuleTAR DNA-binding protein 43Homo sapiens (human)
nuclear speckTAR DNA-binding protein 43Homo sapiens (human)
interchromatin granuleTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
chromatinTAR DNA-binding protein 43Homo 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.
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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]