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.
ID Source | ID |
---|---|
PubMed CID | 576797 |
CHEMBL ID | 1564246 |
CHEBI ID | 112340 |
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 |
Class | Description |
---|---|
aromatic ketone | A 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 44.6684 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 28.1838 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 28.3709 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 28.3709 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 19.9526 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 25.1189 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 15.8489 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 56.2341 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 10.0000 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 89.1251 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 70.7946 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
P53 | Homo sapiens (human) | Potency | 56.2341 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 5.6234 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 35.4813 | 0.0018 | 15.6638 | 39.8107 | AID894 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 89.1251 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 22.3872 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0398 | 16.7842 | 39.8107 | AID995 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 26.6795 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 95.2834 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 39.8107 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
ATP-dependent phosphofructokinase | Trypanosoma brucei brucei TREU927 | Potency | 37.9330 | 0.0601 | 10.7453 | 37.9330 | AID485367 |
[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) |
---|---|---|---|---|---|---|---|
M17 leucyl aminopeptidase | Plasmodium falciparum 3D7 | IC50 (µMol) | 50.4900 | 1.0000 | 27.8360 | 138.0800 | AID1619 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & 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. |
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. |
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. |
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. |
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 | |||
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 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |