You're asking about a specific chemical compound, **2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone**, and its importance in research.
Unfortunately, without more context, it's impossible to definitively say why this exact compound would be important for research. However, we can break down its structure and properties to understand its potential applications.
**Here's a breakdown of the compound:**
* **2-(4-ethoxyphenyl)-1-[...]:** This part indicates the presence of an ethoxyphenyl group (an aromatic ring with an ethoxy side chain) attached to the second carbon of a ketone.
* **[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]:** This part describes a pyrazole ring, which is a five-membered heterocyclic ring containing nitrogen atoms. The pyrazole ring is substituted with a hydroxyl group, a methyl group, and a trifluoromethyl group.
* **ethanone:** This simply indicates a ketone functional group.
**Potential Significance in Research:**
Given the structure, this compound likely possesses properties that make it interesting for various research areas:
* **Pharmaceutical Research:**
* **Pyrazoles** are known for their biological activity, often acting as anti-inflammatory agents, analgesics, and anticonvulsants. The presence of a trifluoromethyl group can enhance pharmacological properties by improving metabolic stability or binding affinity.
* The ethoxyphenyl group adds another potential pharmacophore, contributing to diverse biological interactions.
* The hydroxyl group is often important for hydrogen bonding interactions, which can influence the compound's ability to interact with biological targets.
* **Materials Science:**
* The presence of both aromatic rings and a ketone functional group suggests the potential for this compound to exhibit interesting optical or electronic properties.
* The trifluoromethyl group can contribute to hydrophobicity, which could be useful in developing materials with specific surface properties.
* **Organic Chemistry:**
* This compound could be a valuable starting point for the synthesis of new compounds or the study of specific reaction pathways.
**Finding More Information:**
To learn more about this specific compound's importance, you would need additional context:
* **Research paper or publication:** Is this compound mentioned in a specific research paper? Look for keywords like pyrazole, ethoxyphenyl, trifluoromethyl in the paper's abstract or title.
* **Database searches:** Use chemical databases like PubChem or SciFinder to search for the compound and see if any research has been conducted on it.
* **Expert advice:** Contact researchers working in the relevant fields (pharmacology, materials science, organic chemistry) for their expertise.
Without further information, it's impossible to definitively state the compound's specific research importance. However, its structure suggests potential applications in various fields, highlighting its relevance for further investigation.
ID Source | ID |
---|---|
PubMed CID | 4167592 |
CHEMBL ID | 1378186 |
CHEBI ID | 114703 |
Synonym |
---|
HMS2575A19 |
MLS000700978 |
smr000228016 |
1-[(4-ethoxyphenyl)acetyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1h-pyrazol-5-ol |
2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1h-pyrazol-1-yl]ethanone |
STK449153 |
2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]ethanone |
CHEBI:114703 |
AKOS003295602 |
AKOS022148917 |
CHEMBL1378186 |
Q27196108 |
2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1h-pyrazol-1-yl]-1-ethanone |
Class | Description |
---|---|
acetamides | Compounds with the general formula RNHC(=O)CH3. |
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 0.1259 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
TDP1 protein | Homo sapiens (human) | Potency | 12.0806 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 22.3872 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 100.0000 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 112.2020 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 3.2984 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |