Page last updated: 2024-12-09

1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone

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

1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone, also known as **(4-Methylphenyl)(1H-1,2,4-triazol-5-ylthio)methanone**, is an organic compound that has been researched for its potential biological activity.

**Structure and Properties:**

* **Structure:** This compound is a ketone containing a phenyl ring with a methyl substituent (4-methylphenyl), and a 1,2,4-triazole ring attached via a sulfur atom.
* **Appearance:** It is likely a white to pale yellow solid at room temperature.

**Why it's important in research:**

The presence of both the phenyl ring and the triazole ring makes this compound a candidate for various research areas, particularly in:

* **Medicinal Chemistry:**
* **Anti-inflammatory Activity:** The triazole ring is known to exhibit anti-inflammatory properties, which makes this compound a potential target for developing new drugs to treat inflammatory diseases.
* **Antimicrobial Activity:** The presence of both a sulfur atom and a triazole ring suggests potential antimicrobial activity. This could be explored for developing new antibiotics or anti-fungal agents.
* **Anti-cancer Activity:** Triazole compounds are often studied for their anticancer potential, and this compound's structure could make it a suitable lead molecule for further investigation.
* **Material Science:**
* **Organic Electronics:** Triazole rings can act as electron acceptors, which makes this compound potentially useful in developing new materials for organic electronics, such as solar cells or organic light-emitting diodes (OLEDs).

**However, it's important to note:**

* **Limited Information:** Currently, there is limited published research specifically on this compound.
* **Further Research Needed:** More in-depth research is needed to fully understand its biological activity, potential applications, and safety profile.

**To find more information:**

* **Chemical Databases:** Use chemical databases like PubChem or SciFinder to search for published research on this compound or similar structures.
* **Research Articles:** Search scientific databases like PubMed or Google Scholar for articles focusing on triazole-containing compounds with related structures.

Remember that this information is for general knowledge purposes only and does not constitute professional medical or scientific advice.

Cross-References

ID SourceID
PubMed CID576797
CHEMBL ID1564246
CHEBI ID112340

Synonyms (26)

Synonym
EU-0074936
CBMICRO_008438
AKOS008905536
1-p-tolyl-2-(4h-[1,2,4]triazol-3-ylsulfanyl)-ethanone
BIM-0008630.P001
smr000010235
MLS000068988 ,
CHEBI:112340
1-(4-methylphenyl)-2-(1h-1,2,4-triazol-5-ylsulfanyl)ethanone
HMS1611D02
AKOS000565123
1-(4-methylphenyl)-2-(4h-1,2,4-triazol-3-ylsulfanyl)ethanone
STK927224
CCG-109013
HMS2415B19
smsf0009989
CB11392
CHEMBL1564246
1-(4-methylphenyl)-2-(4h-1,2,4-triazol-3-ylsulfanyl)ethanone #
MUVSMNVNXKMPGC-UHFFFAOYSA-N
1-(p-tolyl)-2-(1h-1,2,4-triazol-5-ylthio)ethanone
bdbm59606
cid_576797
1-(4-methylphenyl)-2-(1h-1,2,4-triazol-5-ylthio)ethanone
Q27192444
1-(4-methylphenyl)-2-(4h-1,2,4-triazol-3-ylsulfanyl)ethan-1-one
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic ring.
[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 (23)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency44.66840.044717.8581100.0000AID485294
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency28.18380.140911.194039.8107AID2451
Chain A, HADH2 proteinHomo sapiens (human)Potency28.37090.025120.237639.8107AID886; AID893
Chain B, HADH2 proteinHomo sapiens (human)Potency28.37090.025120.237639.8107AID886; AID893
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency19.95260.631035.7641100.0000AID504339
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency25.11890.177814.390939.8107AID2147
Chain A, Ferritin light chainEquus caballus (horse)Potency15.84895.623417.292931.6228AID485281
phosphopantetheinyl transferaseBacillus subtilisPotency56.23410.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency10.00000.004110.890331.5287AID504467
thioredoxin glutathione reductaseSchistosoma mansoniPotency89.12510.100022.9075100.0000AID485364
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
regulator of G-protein signaling 4Homo sapiens (human)Potency70.79460.531815.435837.6858AID504845
P53Homo sapiens (human)Potency56.23410.07319.685831.6228AID504706
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency5.62340.035520.977089.1251AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency35.48130.001815.663839.8107AID894
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency89.12510.354828.065989.1251AID504847
chromobox protein homolog 1Homo sapiens (human)Potency22.38720.006026.168889.1251AID540317
mitogen-activated protein kinase 1Homo sapiens (human)Potency39.81070.039816.784239.8107AID995
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency26.67950.168316.404067.0158AID720504
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency95.28340.425612.059128.1838AID504891
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency39.81070.251215.843239.8107AID504327
ATP-dependent phosphofructokinaseTrypanosoma brucei brucei TREU927Potency37.93300.060110.745337.9330AID485367
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
M17 leucyl aminopeptidasePlasmodium falciparum 3D7IC50 (µMol)50.49001.000027.8360138.0800AID1619
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay IDTitleYearJournalArticle
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID1745845Primary 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 (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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 Index12.20 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.20)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]