The compound you described, **1-[4-amino-3-[2-(1-pyrrolidinyl)ethylthio]-5-thieno[2,3-c]isothiazolyl]ethanone**, is a **synthetic molecule**, often referred to by its shorter name, **thiazolyl ethanone**.
It's important for research due to its potential **pharmacological activity**. Thiazolyl ethanone has been studied for its effects on several biological targets, showing promise as a:
* **Anti-inflammatory agent:** This compound has demonstrated the ability to inhibit the production of pro-inflammatory cytokines like TNF-α, which are key mediators of inflammation.
* **Anti-cancer agent:** Some research suggests thiazolyl ethanone could possess anti-proliferative activity against certain cancer cell lines.
* **Antioxidant:** Thiazolyl ethanone has shown antioxidant properties, potentially mitigating oxidative stress and related damage.
**However, it's crucial to note that the research on thiazolyl ethanone is still in its early stages.** More studies are needed to confirm its efficacy and safety for potential therapeutic use.
**Here's a breakdown of its chemical structure and why it's significant:**
* **Thiazole ring:** This ring structure is common in many pharmaceuticals and is known to interact with biological targets.
* **Amino group:** This group adds potential for hydrogen bonding and interactions with other molecules.
* **Thioether linkage:** This linkage can influence the compound's lipophilicity and membrane permeability.
**Overall, thiazolyl ethanone represents a promising lead compound for the development of new drugs with potential anti-inflammatory, anti-cancer, and antioxidant properties. However, further research is essential to establish its clinical relevance and safety profile.**
ID Source | ID |
---|---|
PubMed CID | 558673 |
CHEMBL ID | 1419815 |
CHEBI ID | 109142 |
Synonym |
---|
1-(4-amino-3-{[2-(1-pyrrolidinyl)ethyl]sulfanyl}thieno[2,3-c]isothiazol-5-yl)ethanone |
AO-476/43362730 , |
smr000459123 |
MLS000859744 |
1-(4-amino-3-{[2-(1-pyrrolidinyl)ethyl]sulfanyl}thieno[2,3-c]isothiazol-5-yl)-1-ethanone |
MAYBRIDGE2_000371 |
CHEBI:109142 |
HMS1304A19 |
1-[4-amino-3-(2-pyrrolidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]ethanone |
HMS2792C04 |
CHEMBL1419815 |
1-(4-amino-3-([2-(1-pyrrolidinyl)ethyl]sulfanyl)thieno[2,3-c]isothiazol-5-yl)ethanone # |
WLGMOXHXQGODFR-UHFFFAOYSA-N , |
5-acetyl-4-amino-3-(2-n-pyrrolidinylethylthio)thieno[2,3-c]isothiazole |
Q27188208 |
1-[4-amino-3-[2-(1-pyrrolidinyl)ethylthio]-5-thieno[2,3-c]isothiazolyl]ethanone |
CCG-239496 |
sr-01000003663 |
SR-01000003663-1 |
Class | Description |
---|---|
organosulfur heterocyclic compound | |
organonitrogen heterocyclic compound | Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms. |
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 5.0119 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 89.1251 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 7.9433 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
WRN | Homo sapiens (human) | Potency | 50.1187 | 0.1683 | 31.2583 | 100.0000 | AID651768 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 39.8107 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
TDP1 protein | Homo sapiens (human) | Potency | 24.5192 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 10.0000 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 89.1251 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 56.2341 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 112.2020 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 7.5193 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
snurportin-1 | Homo sapiens (human) | Potency | 112.2020 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 100.0000 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 17.7828 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 12.5893 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
geminin | Homo sapiens (human) | Potency | 2.9093 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 10.0000 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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 | |||
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. |
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. |
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. |
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. |
[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] |