Page last updated: 2024-12-10

1-(3-nitrophenyl)-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-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone is a chemical compound with the following structure:

**Structure:**

* **1-(3-nitrophenyl):** This indicates a phenyl group (C6H5) with a nitro group (NO2) attached at the 3rd position.
* **2-(1H-1,2,4-triazol-5-ylthio):** This indicates a 1H-1,2,4-triazole ring with a sulfur atom (S) attached to the 5th position of the ring. This sulfur atom is further connected to a 2-oxoethyl group (CH2COCH3).

**Importance in Research:**

This compound is a derivative of 1,2,4-triazole, a heterocyclic ring system known for its wide range of biological activities. Due to this structural feature, 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone has been investigated for its potential applications in various research fields, including:

* **Medicinal Chemistry:**
* **Antimicrobial activity:** 1,2,4-triazoles are known for their antimicrobial properties. The presence of the nitrophenyl group and the sulfur atom in this compound may enhance its antibacterial or antifungal activity.
* **Anti-inflammatory activity:** The compound may exhibit anti-inflammatory effects by targeting certain enzymes or signaling pathways involved in inflammation.
* **Antioxidant activity:** The compound might possess antioxidant properties, protecting against oxidative stress and cell damage.
* **Agricultural Chemistry:**
* **Pesticide development:** The compound's potential to interfere with microbial growth could lead to its investigation as a pesticide or fungicide.
* **Materials Science:**
* **Organic electronics:** The presence of the triazole ring and the sulfur atom might make this compound suitable for use in organic electronic devices, such as organic light-emitting diodes (OLEDs) or solar cells.

**It's important to note:**

* The exact biological activities and applications of 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone are still under investigation.
* Further research is needed to evaluate its safety, efficacy, and potential side effects before it can be considered for any specific medicinal or agricultural applications.

In summary, this compound, with its unique structural features and its potential for various biological activities, holds promise for research in medicinal chemistry, agricultural chemistry, and materials science. However, further investigations are crucial to fully understand its properties and applications.

Cross-References

ID SourceID
PubMed CID2877351
CHEMBL ID1566417
CHEBI ID120630

Synonyms (18)

Synonym
CBMICRO_008723
HMS2619E10
smr000203881
MLS000585118 ,
EU-0041592
1-(3-nitro-phenyl)-2-(4h-[1,2,4]triazol-3-ylsulfanyl)-ethanone
BIM-0008687.P001
CHEBI:120630
1-(3-nitrophenyl)-2-(1h-1,2,4-triazol-5-ylsulfanyl)ethanone
AKOS000565193
smsf0010030
AKOS008967915
CB11379
CHEMBL1566417
cid_2877351
bdbm72215
1-(3-nitrophenyl)-2-(1h-1,2,4-triazol-5-ylthio)ethanone
Q27208760
[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 (17)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency25.05940.140911.194039.8107AID2451
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency28.18380.631035.7641100.0000AID504339
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency8.97160.177814.390939.8107AID2147; AID2677
phosphopantetheinyl transferaseBacillus subtilisPotency50.11870.141337.9142100.0000AID1490
Microtubule-associated protein tauHomo sapiens (human)Potency32.46480.180013.557439.8107AID1460; AID1468
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
formaldehyde dehydrogenasePseudomonas putidaPotency0.89130.28183.245111.4909AID2680
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency25.11890.035520.977089.1251AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency39.81070.001815.663839.8107AID894
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency79.43280.354828.065989.1251AID504847
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency33.58750.168316.404067.0158AID720504
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency35.48130.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency29.09290.004611.374133.4983AID624296
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency14.12540.00419.962528.1838AID2675
ATP-dependent phosphofructokinaseTrypanosoma brucei brucei TREU927Potency30.13130.060110.745337.9330AID485367
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Hsf1 proteinMus musculus (house mouse)EC50 (µMol)260.00000.160024.4900236.5000AID435004
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
[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]