Page last updated: 2024-12-09

1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone

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

The compound you described, **1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone**, is a complex organic molecule with a very specific structure. Let's break down its parts and potential importance for research:

**Structure Breakdown:**

* **1-(3,4-dihydroxyphenyl)**: This part indicates a phenyl ring (a six-membered ring with alternating single and double bonds) with two hydroxyl groups (OH) attached at positions 3 and 4.
* **2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone**: This complex part describes a chain attached to the phenyl ring. Here's what it means:
* **ethanone**: This is a ketone group (C=O) attached to a two-carbon chain.
* **thio**: This indicates a sulfur atom (S) connecting the ketone to the rest of the chain.
* **[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]**: This is a 1,2,4-triazole ring with several substituents:
* **1,2,4-triazole**: This is a five-membered ring containing three nitrogen atoms.
* **5-(3-methoxyphenyl)**: At position 5 of the triazole ring, there's a phenyl ring with a methoxy group (OCH3) at position 3.
* **4-prop-2-enyl**: At position 4 of the triazole ring, there's a prop-2-enyl group (CH2=CH-CH2-), which is a three-carbon chain with a double bond.

**Potential Research Importance:**

Based on the structure, this compound could be investigated for a variety of reasons:

* **Pharmacological Activity**: The presence of multiple aromatic rings, hydroxyl groups, and a sulfur atom suggests potential for pharmacological activity. These features are often found in molecules that interact with biological targets.
* **Antioxidant Properties**: The hydroxyl groups on the phenyl ring are known to have antioxidant properties. This molecule might exhibit antioxidant activity, which is relevant for studying oxidative stress and disease prevention.
* **Anti-inflammatory Properties**: The combination of the triazole ring and the phenyl ring with hydroxyl groups might result in anti-inflammatory activity.
* **Antimicrobial Activity**: Some triazole derivatives are known to have antimicrobial properties. The presence of the prop-2-enyl group could further enhance this effect.
* **Biological Target Interaction**: The specific structure could allow for interaction with specific biological targets like enzymes, receptors, or DNA.

**How to Find Research on this Compound:**

To find specific research on this compound, you'll need to search databases like PubMed, Google Scholar, or Scifinder. You can use the full chemical name or a simplified version like triazole derivative with phenyl ring and ketone. You can also search for related compounds or specific research topics related to the potential biological activity of this molecule.

**Important Note:** It is crucial to understand that this compound has not been extensively studied, and its biological properties remain to be fully investigated. This information is provided for educational purposes only and should not be interpreted as medical advice.

Cross-References

ID SourceID
PubMed CID1409759
CHEMBL ID1523111
CHEBI ID92706

Synonyms (15)

Synonym
1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
MLS-0390843.0001 ,
MLS002415566
smr001338937
STL040922
1-(3,4-dihydroxyphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}ethanone
AKOS005694789
bdbm41894
1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
cid_1409759
2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone
CHEMBL1523111
CHEBI:92706
Q27164407
[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 (20)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency28.18380.631035.7641100.0000AID504339
WRNHomo sapiens (human)Potency2.66790.168331.2583100.0000AID651768
TDP1 proteinHomo sapiens (human)Potency14.58100.000811.382244.6684AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency79.43280.100022.9075100.0000AID485364
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency39.81070.707912.194339.8107AID720542
67.9K proteinVaccinia virusPotency3.98110.00018.4406100.0000AID720579
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency50.11870.707936.904389.1251AID504333
DNA polymerase eta isoform 1Homo sapiens (human)Potency11.22020.100028.9256213.3130AID588591
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency79.43280.050127.073689.1251AID588590
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency6.30960.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency6.30960.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency6.30960.15855.287912.5893AID540303
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency39.81070.075215.225339.8107AID485360
DNA polymerase kappa isoform 1Homo sapiens (human)Potency31.62280.031622.3146100.0000AID588579
[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)
alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproproteinHomo sapiens (human)IC50 (µMol)17.40000.125016.260374.8000AID1056
rac GTPase-activating protein 1 isoform aHomo sapiens (human)IC50 (µMol)77.72007.390057.8904301.2400AID624330
alkaline phosphatase, germ cell type preproproteinHomo sapiens (human)IC50 (µMol)9.32500.110011.386267.2000AID1017; AID1512
Muscarinic acetylcholine receptor M2Rattus norvegicus (Norway rat)IC50 (µMol)13.10000.00053.314249.5000AID1017
[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)
alkaline phosphatase, intestinalHomo sapiens (human)EC50 (µMol)100.00000.257026.839581.0000AID488873
alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproproteinHomo sapiens (human)EC50 (µMol)68.00000.227025.090486.8000AID488880
intestinal alkaline phosphatase precursorMus musculus (house mouse)EC50 (µMol)100.00000.382042.469175.0000AID488783
alkaline phosphatase, germ cell type preproproteinHomo sapiens (human)EC50 (µMol)47.80000.550033.733974.0000AID488878
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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