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.**
ID Source | ID |
---|---|
PubMed CID | 555792 |
CHEMBL ID | 1442910 |
CHEBI ID | 109479 |
SCHEMBL ID | 1366438 |
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 |
Class | Description |
---|---|
sulfonamide | An 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 89.1251 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 22.3872 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID1159607 | Screen for inhibitors of RMI FANCM (MM2) intereaction | 2016 | Journal 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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (16.67) | 29.6817 |
2010's | 4 (66.67) | 24.3611 |
2020's | 1 (16.67) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (12.35) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |