1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is a complex organic molecule with potential applications in medicinal chemistry research. Here's a breakdown of its structure and potential significance:
**Structure:**
* **Benzenesulfonyl group:** A sulfur-containing aromatic ring attached to a piperazine ring.
* **Piperazine ring:** A six-membered ring containing two nitrogen atoms.
* **1,3,4-oxadiazol-2-yl group:** A five-membered ring containing one oxygen and two nitrogen atoms.
* **Phenoxy group:** An oxygen atom attached to a benzene ring.
* **Ethanoate group (CH2COCH3):** A carbon chain containing a carbonyl group.
**Potential Importance for Research:**
This molecule's structure suggests it could be a promising candidate for drug development, specifically for:
* **Targeting G Protein-Coupled Receptors (GPCRs):** The combination of the piperazine ring and the oxadiazole group is often found in compounds that interact with GPCRs. GPCRs are important targets for many drugs, controlling a wide range of biological functions.
* **Modulating Enzyme Activity:** The benzenesulfonyl group is known to interact with enzymes. The molecule could potentially inhibit or activate specific enzymes involved in various metabolic pathways.
* **Anti-inflammatory or Immunomodulatory Activities:** The oxadiazole and phenoxy groups are often found in molecules with anti-inflammatory or immunomodulatory properties. This molecule could potentially exhibit similar activities.
**However, it's crucial to understand that this is just a theoretical analysis based on the molecule's structure.**
**To assess the true potential of this molecule for research, extensive experimental studies are needed to determine:**
* **Its pharmacological activity:** Does it interact with specific biological targets?
* **Its pharmacokinetic properties:** How is it absorbed, distributed, metabolized, and excreted in the body?
* **Its safety and efficacy:** Is it safe and effective for use as a therapeutic agent?
**In conclusion, 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone represents a potential candidate for drug development research due to its structural features and potential to target relevant biological pathways. However, further experimental investigations are necessary to determine its true value and applicability.**
ID Source | ID |
---|---|
PubMed CID | 2594875 |
CHEMBL ID | 1609413 |
CHEBI ID | 107876 |
Synonym |
---|
smr000067863 |
MLS000056455 |
MLS000881061 |
CHEBI:107876 |
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone |
HMS2316I09 |
AB00440530-09 |
Z25382871 |
CHEMBL1609413 |
Q27186217 |
1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone |
AKOS033940227 |
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) |
---|---|---|---|---|---|---|---|
TDP1 protein | Homo sapiens (human) | Potency | 10.5974 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 39.8107 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 25.1189 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 95.2834 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
geminin | Homo sapiens (human) | Potency | 6.5131 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
[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 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |