The compound you're asking about, **1-[[4-(2,4,6-trimethylphenyl)-1-piperazinyl]sulfonyl]azepane**, is a chemical with a complex structure and a potential role in research, particularly in the field of medicinal chemistry. Here's a breakdown:
**Structure:**
* **Azepane:** This is a seven-membered ring containing nitrogen (similar to piperidine, but with one more carbon atom).
* **Sulfonyl:** A functional group containing sulfur, oxygen, and two single bonds to other atoms.
* **Piperazine:** A six-membered ring with two nitrogen atoms.
* **2,4,6-trimethylphenyl:** A benzene ring with three methyl (CH3) groups at positions 2, 4, and 6.
**Importance in Research:**
This compound is a **sulfonamide derivative**. Sulfonamides are a broad class of compounds known for their pharmacological activity, including:
* **Antimicrobial activity:** Some sulfonamides are potent antibiotics.
* **Anti-inflammatory activity:** Certain sulfonamides can suppress inflammation.
* **Diuretic activity:** Some sulfonamides increase urine production.
**Why this specific compound is important:**
* **Potential for novel activity:** The unique structure of this compound, with its combination of azepane, piperazine, and a trimethylphenyl group, may confer specific biological properties that haven't been explored yet.
* **Structure-activity relationship studies:** Researchers might use this compound to investigate how modifying different parts of the molecule influences its biological activity. This can lead to the development of new and improved drugs.
* **Lead compound for drug development:** This compound could serve as a starting point for developing new therapeutic agents. By modifying its structure, researchers might create compounds with greater potency, selectivity, or pharmacokinetic properties.
**Important Note:**
It's crucial to remember that research is ongoing, and the exact biological activity and potential applications of 1-[[4-(2,4,6-trimethylphenyl)-1-piperazinyl]sulfonyl]azepane are still under investigation.
**For more information:**
* You can search for scientific literature on this compound using databases like PubMed or Google Scholar.
* Consult with experts in medicinal chemistry or related fields for a more comprehensive understanding of its potential significance.
ID Source | ID |
---|---|
PubMed CID | 2236768 |
CHEMBL ID | 1392107 |
CHEBI ID | 105212 |
Synonym |
---|
smr000082230 |
1-[(4-mesityl-1-piperazinyl)sulfonyl]azepane |
MLS000100236 |
AP-124/43238085 |
CHEBI:105212 |
AKOS002244921 |
MLS002548559 |
1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]sulfonylazepane |
HMS2279B19 |
F3083-0201 |
825608-09-1 |
1-((4-mesitylpiperazin-1-yl)sulfonyl)azepane |
CHEMBL1392107 |
Q27182917 |
1-[[4-(2,4,6-trimethylphenyl)-1-piperazinyl]sulfonyl]azepane |
VU0191348-4 |
SR-01000298921-1 |
sr-01000298921 |
Class | Description |
---|---|
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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 100.0000 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 10.0000 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 12.5893 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 23.1093 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 18.3564 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 17.7828 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 39.8107 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 25.1189 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
PINK1 | Homo sapiens (human) | Potency | 50.1187 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 22.3872 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
Parkin | Homo sapiens (human) | Potency | 50.1187 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
IDH1 | Homo sapiens (human) | Potency | 18.3564 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 6.3096 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 1.1220 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 25.1189 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 89.1251 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
DNA polymerase beta | Homo sapiens (human) | Potency | 89.1251 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
snurportin-1 | Homo sapiens (human) | Potency | 89.1251 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
geminin | Homo sapiens (human) | Potency | 29.0929 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 0.0100 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 31.6228 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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] |