Page last updated: 2024-12-09

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester

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

You're asking about **1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester**. This is a complex organic molecule, and I'll break down its structure and potential significance in research:

**Structure:**

* **Core:** The molecule is built around a triazole ring (a 5-membered ring containing 3 nitrogens).
* **Substitutions:**
* **1-Position:** A 4-amino-1,2,5-oxadiazole-3-yl group is attached. This is another heterocyclic ring containing nitrogen and oxygen.
* **5-Position:** A phenoxymethyl group is attached. This is a benzene ring with an oxygen and a methylene (CH2) group.
* **4-Position:** A carboxylic acid group is attached, with an ethyl ester (C2H5O) replacing the acidic hydrogen.

**Potential Importance in Research:**

This specific molecule is not widely documented, but its structural features suggest it could be relevant in various research areas:

* **Pharmaceuticals:** The combination of heterocyclic rings with potential for hydrogen bonding and the carboxylic acid/ester functionality are common features in drug molecules. This compound could be investigated for biological activity, potentially as an antibacterial, antifungal, or anti-cancer agent.
* **Agricultural Chemicals:** The structure shares similarities with some herbicides and fungicides. It could be investigated for its potential to inhibit plant growth or protect crops from diseases.
* **Materials Science:** The combination of aromatic rings (benzene and triazole) and the potential for hydrogen bonding could lead to interesting properties. This molecule might be explored for its potential in polymer synthesis or as a building block for novel materials.
* **Chemical Synthesis:** The molecule itself might be a valuable intermediate in organic synthesis. Its structure allows for further functionalization and modification, opening up possibilities for creating new molecules with unique properties.

**Important Note:** Without specific information on the molecule's synthesis, biological activity, or intended use, it's impossible to say definitively why it's important for research.

**To learn more, you would need to:**

* **Search for scientific publications:** Look for research papers, patents, or databases that specifically mention this molecule.
* **Contact researchers:** Reach out to academic or industrial labs specializing in medicinal chemistry, agricultural chemistry, or materials science. They might have ongoing research projects related to this type of molecule.

Remember, researching a molecule is a complex process requiring detailed information and expert knowledge.

Cross-References

ID SourceID
PubMed CID691702
CHEMBL ID1385555
CHEBI ID111389

Synonyms (23)

Synonym
OPREA1_662697
MLS000113237 ,
smr000109141
CHEBI:111389
BRD-K36834752-001-04-7
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)triazole-4-carboxylate
AKOS000549053
STK754680
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1h-1,2,3-triazole-4-carboxylate
HMS2184A13
RNABOYGBCYHTDS-UHFFFAOYSA-N
1-(4-amino-furazan-3-yl)-5-phenoxymethyl-1h-[1,2,3]triazole-4-carboxylic acid ethyl ester
1-(4-aminofurazan-3-yl)-5-(phenoxymethyl)triazole-4-carboxylic acid ethyl ester
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester
cid_691702
ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1,2,3-triazole-4-carboxylate
bdbm68661
CHEMBL1385555
Q27191102
SR-01000514735-1
sr-01000514735
339311-63-6
mfcd00826369
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic etherAny ether in which the oxygen is attached to at least one aryl substituent.
[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 (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency0.63100.044717.8581100.0000AID485294
Chain A, Ferritin light chainEquus caballus (horse)Potency28.18385.623417.292931.6228AID485281
Smad3Homo sapiens (human)Potency35.48130.00527.809829.0929AID588855
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency12.58930.011212.4002100.0000AID1030
thyroid stimulating hormone receptorHomo sapiens (human)Potency12.58930.001318.074339.8107AID926; AID938
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency50.11870.036619.637650.1187AID1466; AID2242
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency39.81073.548119.542744.6684AID743266
survival motor neuron protein isoform dHomo sapiens (human)Potency3.98110.125912.234435.4813AID1458
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency50.11873.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency50.11873.548118.039535.4813AID1466
[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)
glycogen synthase kinase-3 beta isoform 1Homo sapiens (human)EC50 (µMol)23.81000.212522.156283.9400AID434954
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID1745845Primary 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.
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.
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.
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.
[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]