Page last updated: 2024-12-09

1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethyl]-1,2,4-triazole

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

You're describing a chemical compound with a rather complex structure. Here's a breakdown:

**1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethyl]-1,2,4-triazole**

* **1,2,4-triazole:** This is a heterocyclic ring system containing three nitrogen atoms.
* **[3-(trifluoromethyl)phenoxy]ethoxy:** This part of the molecule describes a side chain with a 3-(trifluoromethyl)phenoxy group attached to an ethoxy group.
* **[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethyl]:** This part describes the overall structure of the side chain, showing that the 3-(trifluoromethyl)phenoxy group is connected to an ethoxy group, which is then attached to another ethoxy group, and finally to an ethyl group.

**The structure** is quite long and has a few interesting functional groups:

* **Trifluoromethyl group (CF3):** This group is known to increase the lipophilicity of a molecule, meaning it's more likely to dissolve in fats and oils.
* **Phenoxy group (C6H5O):** This is an aromatic group, often contributing to biological activity.
* **Ethoxy groups (CH3CH2O):** These are ether groups that can influence a molecule's flexibility and interactions.
* **1,2,4-triazole:** This ring system often appears in compounds with biological activity, like fungicides and pharmaceuticals.

**Importance in Research:**

The specific importance of this compound is unclear without further context. However, its structure suggests a few potential research applications:

* **Drug discovery:** The combination of aromatic and heteroaromatic rings, the trifluoromethyl group, and the ether chains often leads to compounds with biological activity. It could be investigated for properties like anti-inflammatory, antimicrobial, or anticancer activity.
* **Materials science:** The compound's structure could make it useful in the development of polymers, coatings, or other materials. The trifluoromethyl group and the ether groups can influence the physical properties of these materials, such as their hydrophobic character, stability, and flexibility.
* **Chemical synthesis:** This compound could serve as a building block or intermediate in the synthesis of other more complex molecules.

**To understand the exact importance of this compound, you'd need more information, such as:**

* **Its synthesis method:** How was it made?
* **Its biological activity:** Does it show any particular effects on cells or organisms?
* **Its application:** What is it being used for in research?

Let me know if you have more details about this specific compound!

Cross-References

ID SourceID
PubMed CID2199944
CHEMBL ID1383257
CHEBI ID116235

Synonyms (8)

Synonym
MLS000049318
1-(2-{2-[3-(trifluoromethyl)phenoxy]ethoxy}ethyl)-1h-1,2,4-triazole
smr000075180
CHEBI:116235
1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethyl]-1,2,4-triazole
HMS2322A17
CHEMBL1383257
Q27199028
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
(trifluoromethyl)benzenesAn organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens.
[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 (5)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency3.54810.631035.7641100.0000AID504339
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency39.81070.177814.390939.8107AID2147
15-lipoxygenase, partialHomo sapiens (human)Potency25.11890.012610.691788.5700AID887
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency56.23410.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency3.16230.035520.977089.1251AID504332
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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