Page last updated: 2024-12-09

1-[1-(benzenesulfonyl)-3-pyrrolyl]ethanone

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

The compound you described, **1-[1-(benzenesulfonyl)-3-pyrrolyl]ethanone**, is a synthetic molecule with a complex chemical structure. It is important for research because it acts as a **building block for the synthesis of other, more complex molecules**.

Here's a breakdown:

* **Structure:** It consists of a pyrrole ring (a five-membered ring with a nitrogen atom) with a benzenesulfonyl group attached to the 1-position and an acetyl group (CH3CO-) attached to the 3-position.
* **Significance in Research:** The presence of both the pyrrole and the sulfonyl group makes this compound a versatile reagent. It can be used as a starting material for:
* **Developing new pharmaceuticals:** Pyrrole derivatives are found in various natural products and pharmaceuticals, often exhibiting biological activity.
* **Preparing functional materials:** The sulfonyl group can be modified to introduce different functionalities, leading to materials with specific optical, electronic, or catalytic properties.
* **Synthesizing complex organic molecules:** The building block nature allows researchers to assemble this molecule with other compounds to create novel and potentially valuable molecules.

**Specific Examples of its Use:**

* **Synthesis of pyrrole-based fluorescent dyes:** The sulfonyl group can be modified to introduce fluorescent moieties, making the compound useful for imaging and biosensing applications.
* **Developing inhibitors of enzymes:** By modifying the acetyl group, the compound can be designed to interact with specific enzymes and potentially inhibit their activity.
* **Exploring new materials for organic electronics:** The presence of both aromatic and electron-rich functionalities makes it a potential candidate for developing new organic semiconductors and photovoltaic materials.

**Limitations and Challenges:**

* **Synthesis:** Due to its complex structure, synthesizing this compound can be challenging and time-consuming.
* **Stability:** The compound's reactivity might limit its applications in certain conditions.
* **Toxicity:** Before its use in pharmaceuticals or biological applications, extensive toxicological studies are necessary.

**In conclusion, 1-[1-(benzenesulfonyl)-3-pyrrolyl]ethanone is a valuable synthetic compound with potential applications in various fields of research. It's the building block for exploring new materials, pharmaceuticals, and functional molecules with unique properties.**

Cross-References

ID SourceID
PubMed CID555792
CHEMBL ID1442910
CHEBI ID109479
SCHEMBL ID1366438

Synonyms (45)

Synonym
HMS2566I06
1-[1-(benzenesulfonyl)-1h-pyrrol-3-yl]-ethanone
AN-329/41189535
1-[1-(phenylsulfonyl)-1h-pyrrol-3-yl]ethanone
EU-0082570
MLS000704507
smr000231482
3-acetyl-1-(phenylsulfonyl)pyrrole, 98%
SR-01000639886-1
81453-98-7
STK024460
CHEBI:109479
AKOS000491240
1-(1-benzenesulfonyl-1h-pyrrol-3-yl)-ethanone
1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone
A840134
1-[1-(benzenesulfonyl)-3-pyrrolyl]ethanone
1-[1-(phenylsulfonyl)pyrrol-3-yl]ethanone
3-acetyl-1-(phenylsulfonyl)pyrrole
CCG-50515
F1443-1323
1-(1-(phenylsulfonyl)-1h-pyrrol-3-yl)ethanone
FT-0607086
3-acetyl-1-(phenylsulphonyl)pyrrole
1-[1-(benzenesulfonyl)-1h-pyrrol-3-yl]ethan-1-one
6R-0053
SCHEMBL1366438
J-504084
3-acetyl-1-phenylsulfonyl-1h-pyrrole
1-[1-(phenylsulfonyl)-1h-pyrrol-3-yl]-1-ethanone
3-acetyl-1-(phenylsulfonyl)-1h-pyrrole
1-[1-(phenylsulfonyl)-1h-pyrrol-3-yl]ethanone #
CHEMBL1442910
Q27188623
DTXSID60339383
y4u ,
mfcd00067752
3-acetyl-n-(phenylsulfonyl)pyrrole
CS-0204548
2-(1-(bicyclo[2.2.1]hept-5-en-2-yl)-1-phenylethoxy)-n,n-diethylethanamine
AMY29169
F53427
SB62121
SY278883
1-[1-(phenylsulfonyl)-3-pyrrolyl]ethanone
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
sulfonamideAn amide of a sulfonic acid RS(=O)2NR'2.
[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 (2)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency89.12510.044717.8581100.0000AID485294
pyruvate kinase PKM isoform aHomo sapiens (human)Potency22.38720.04017.459031.6228AID1631; AID1634
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (14)

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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[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's1 (16.67)29.6817
2010's4 (66.67)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: 12.35

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 Index12.35 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.30 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.35)

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]