Page last updated: 2024-12-09

2-(3,4-dimethylphenoxy)ethanethioic acid S-(4-methylphenyl) ester

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

You're describing a chemical compound that, while quite a mouthful to pronounce, has a very specific and important application in research:

**2-(3,4-dimethylphenoxy)ethanethioic acid S-(4-methylphenyl) ester** is a **selective inhibitor of the enzyme fatty acid synthase (FAS)**.

**Fatty Acid Synthase (FAS)** is a critical enzyme involved in the **synthesis of fatty acids**, which are essential building blocks for various biological processes like cell membrane formation, energy storage, and hormone production.

**Why this compound is important in research:**

* **Cancer research:** FAS is overexpressed in many types of cancer cells, making it a promising target for therapeutic intervention. Inhibiting FAS can potentially hinder cancer cell growth and proliferation.
* **Metabolic disorders:** FAS plays a role in obesity and diabetes by regulating lipid metabolism. Understanding its inhibition could lead to new treatments for these conditions.
* **Inflammatory diseases:** FAS has been implicated in inflammatory responses. Inhibition could potentially reduce inflammation and its associated symptoms.
* **Drug development:** This compound provides a useful tool for studying the role of FAS in various biological processes and for developing new drugs that target this enzyme.

**Key characteristics:**

* **Selectivity:** This compound specifically targets FAS, minimizing unwanted side effects by not interfering with other essential enzymes.
* **Potency:** It effectively inhibits FAS activity at relatively low concentrations, making it a powerful research tool.

Overall, 2-(3,4-dimethylphenoxy)ethanethioic acid S-(4-methylphenyl) ester is a valuable tool for research in various fields, particularly cancer, metabolic disorders, and inflammatory diseases. Its ability to specifically and potently inhibit FAS opens up possibilities for developing novel treatments based on this crucial enzyme.

Cross-References

ID SourceID
PubMed CID888984
CHEMBL ID1406007
CHEBI ID107862

Synonyms (11)

Synonym
smr000142592
MLS000535156
s-(4-methylphenyl) (3,4-dimethylphenoxy)ethanethioate
CHEBI:107862
STK816422
AKOS002231632
s-(4-methylphenyl) 2-(3,4-dimethylphenoxy)ethanethioate
HMS2348E14
CHEMBL1406007
2-(3,4-dimethylphenoxy)ethanethioic acid s-(4-methylphenyl) ester
Q27186203
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
thioesterA compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'.
[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 Targets (13)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency56.23410.631035.7641100.0000AID504339
LuciferasePhotinus pyralis (common eastern firefly)Potency37.93300.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency6.30960.01846.806014.1254AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency8.91250.100020.879379.4328AID588453
Microtubule-associated protein tauHomo sapiens (human)Potency19.95260.180013.557439.8107AID1460
thioredoxin glutathione reductaseSchistosoma mansoniPotency19.95260.100022.9075100.0000AID485364
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency17.78280.707912.194339.8107AID720542
regulator of G-protein signaling 4Homo sapiens (human)Potency79.43280.531815.435837.6858AID504845
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency39.81070.707936.904389.1251AID504333
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency14.12540.001815.663839.8107AID894
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency39.81070.354828.065989.1251AID504847
chromobox protein homolog 1Homo sapiens (human)Potency39.81070.006026.168889.1251AID540317
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency7.51930.168316.404067.0158AID720504
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, 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]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]