Page last updated: 2024-12-10

2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

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

2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone is a chemical compound with a complex structure. While the exact application of this specific compound might not be readily available in public databases, we can break down its structure and potential significance for research:

**Structure:**

* **2-(3,4-dimethoxyphenyl):** This part refers to a phenyl ring (a six-membered carbon ring) with two methoxy groups (CH3O-) attached at the 3rd and 4th positions.
* **1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone:** This indicates a pyrazole ring (a five-membered ring containing two nitrogen atoms). The pyrazole ring is further substituted:
* **5-hydroxy:** A hydroxyl group (-OH) is attached at the 5th position.
* **3-methyl:** A methyl group (-CH3) is attached at the 3rd position.
* **5-(trifluoromethyl):** A trifluoromethyl group (-CF3) is attached at the 5th position.
* **1-yl]ethanone:** This indicates that the pyrazole ring is connected to an ethanone group (CH3CO-) via a nitrogen atom at the 1st position.

**Potential Importance for Research:**

The complex structure of this compound suggests it could be:

* **A pharmaceutical lead:** The presence of a pyrazole ring, aromatic groups, and functional groups like hydroxy and trifluoromethyl is typical of many drug molecules. This compound could be a potential lead for developing drugs with various biological activities.
* **A chemical reagent:** The compound's structure might make it useful in chemical synthesis or as a reagent for specific reactions.
* **A probe for biological studies:** The presence of specific functional groups could make it a suitable probe for investigating biological processes or interactions.

**To further understand its significance:**

* **Need specific research context:** To understand its specific importance, one needs to know the research area or context where it was discovered or synthesized.
* **Published research:** Searching for publications that mention this specific compound or similar structures could provide more information about its significance in specific fields.

**Note:** This is just a preliminary analysis based on the structure of the compound. Without additional context or published research, it's impossible to definitively determine its exact importance.

Cross-References

ID SourceID
PubMed CID3136707
CHEMBL ID1489130
CHEBI ID121000

Synonyms (11)

Synonym
smr000283130
MLS000689107
2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1h-pyrazol-1-yl]ethanone
STK053046
CHEBI:121000
AKOS001642664
HMS2715K05
2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]ethanone
CHEMBL1489130
AKOS022078951
Q27209236
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
dimethoxybenzeneAny methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives.
[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)
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency25.11890.707912.194339.8107AID720542
chromobox protein homolog 1Homo sapiens (human)Potency100.00000.006026.168889.1251AID540317
huntingtin isoform 2Homo sapiens (human)Potency1.12200.000618.41981,122.0200AID1688
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency17.01570.00798.23321,122.0200AID2546; AID2551
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
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]