1-ethyl-3-(4-methylphenyl)sulfonylthiourea, often abbreviated as **EMST**, is a **small molecule** that has garnered significant attention in research due to its unique pharmacological properties.
**Chemical Structure and Properties:**
* EMST is a synthetic compound with a thiourea core, an ethyl group at the N1 position, and a 4-methylphenyl sulfonyl group at the N3 position.
* It is a white, crystalline solid with a molecular weight of 286.36 g/mol.
* EMST is soluble in organic solvents like ethanol and dimethyl sulfoxide (DMSO).
**Pharmacological Importance:**
EMST has been investigated for its potential in various research areas, including:
* **Anti-inflammatory Activity:** Studies have shown that EMST exhibits anti-inflammatory effects by inhibiting the production of inflammatory mediators like nitric oxide (NO) and prostaglandins. This activity is linked to its ability to suppress the activation of nuclear factor kappa-B (NF-κB), a key transcription factor involved in inflammation.
* **Antioxidant Properties:** EMST acts as an antioxidant by scavenging free radicals and protecting cells from oxidative damage.
* **Anticancer Activity:** Research suggests that EMST possesses anticancer properties. It has been shown to induce apoptosis (programmed cell death) in cancer cells and inhibit their growth and proliferation. This activity might be associated with its ability to interfere with signaling pathways involved in cell cycle regulation and angiogenesis (formation of new blood vessels).
* **Neuroprotective Effects:** EMST has been explored for its potential to protect neurons against damage caused by various insults, such as stroke, neurodegenerative diseases, and traumatic brain injury. It has been shown to reduce neuronal cell death and improve neurological function in animal models.
* **Modulation of Ion Channels:** EMST can interact with and modulate the activity of ion channels, particularly those involved in neuronal excitability and synaptic transmission. This interaction may contribute to its neuroprotective and anti-inflammatory effects.
**Research Applications:**
* **Drug Development:** EMST is being investigated as a potential drug candidate for treating inflammatory diseases, cancer, neurodegenerative disorders, and other conditions.
* **Preclinical Studies:** EMST is used in animal models to study the mechanisms underlying its pharmacological actions and to evaluate its therapeutic potential.
* **Target Identification:** Research utilizing EMST aims to identify the specific molecular targets responsible for its biological effects. This information can be valuable for developing more targeted therapies.
**Note:** It is important to note that EMST is still under investigation, and further research is required to fully understand its efficacy and safety in humans. Clinical trials are needed to assess its potential as a therapeutic agent.
ID Source | ID |
---|---|
PubMed CID | 914066 |
CHEMBL ID | 1441276 |
CHEBI ID | 109684 |
Synonym |
---|
UPCMLD0ENAT5307404:001 |
MLS000580097 , |
smr000199627 |
n-[(ethylamino)carbonothioyl]-4-methylbenzenesulfonamide |
n-(ethylcarbamothioyl)-4-methylbenzenesulfonamide |
STK244638 |
CHEBI:109684 |
AKOS001081047 |
1-ethyl-3-(4-methylphenyl)sulfonylthiourea |
HMS2541K03 |
CHEMBL1441276 |
Q27188857 |
sr-01000274143 |
SR-01000274143-1 |
Z57049055 |
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, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 3.5397 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 17.7828 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 2.2387 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 31.6228 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 24.8033 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 14.1254 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
polyadenylate-binding protein 1 | Homo sapiens (human) | IC50 (µMol) | 66.0000 | 4.9100 | 23.7029 | 76.1900 | AID602259; AID602260 |
[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. |
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 | |||
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. |
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. |
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] |