Page last updated: 2024-12-10

[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

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

You've described a complex organic molecule, specifically a **pyrazole derivative**. Let's break it down:

**Structure and Properties**

* **Pyrazoles:** The core structure is a five-membered ring containing two nitrogen atoms. This molecule has two pyrazole rings connected by a carbonyl group (C=O).
* **Substitutions:**
* **First pyrazole ring:** It has a bromine (Br), two methyl groups (CH3), and a pyrazolylmethyl group attached to a phenyl ring.
* **Second pyrazole ring:** It has a hydroxyl (OH), a methyl group (CH3), and a trifluoromethyl group (CF3).
* **Overall:** The molecule is likely a solid at room temperature and may be soluble in organic solvents.

**Potential Importance for Research**

This compound's structure suggests it might be interesting for research in areas like:

* **Pharmacology:**
* **Drug Discovery:** Pyrazoles are known to possess diverse pharmacological activities. The presence of various substituents on this molecule could contribute to its binding affinity to specific biological targets. This makes it a potential candidate for drug development in areas like:
* **Anti-inflammatory:** Pyrazoles are often used in anti-inflammatory drugs.
* **Analgesic:** The molecule could potentially have pain-relieving properties.
* **Antimicrobial:** Some pyrazoles have antimicrobial activity, potentially due to their interactions with bacterial or fungal enzymes.
* **Lead Optimization:** This specific compound might serve as a lead compound, meaning it could be modified further to create more potent and specific drugs.

* **Materials Science:**
* **Organic Electronics:** The fluorine atoms in the trifluoromethyl group could contribute to the electronic properties of the molecule. This may make it suitable for applications in organic light-emitting diodes (OLEDs) or organic solar cells.
* **Polymer Synthesis:** The presence of reactive groups on the molecule could make it useful as a monomer for the creation of new polymers with interesting properties.

**Important Note:**

Without further context or research, we can only speculate about the specific importance of this molecule. To fully understand its significance, we would need information about its synthesis, biological activity, and any potential applications.

Cross-References

ID SourceID
PubMed CID4765929
CHEMBL ID1310888
CHEBI ID111195

Synonyms (18)

Synonym
HMS2576L07
REGID_FOR_CID_4765929
MLS000698599 ,
smr000228097
1-{4-[(4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1h-pyrazol-5-ol
STK302615
{4-[(4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1h-pyrazol-1-yl]methanone
CHEBI:111195
AKOS003991221
[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]methanone
CHEMBL1310888
bdbm45265
[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]methanone
cid_4765929
[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]methanone
[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone
Q27190808
cid 4765929
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzoic acidsAny aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group.
[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 (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency15.84890.044717.8581100.0000AID485294
Chain A, CruzipainTrypanosoma cruziPotency25.11890.002014.677939.8107AID1476
glp-1 receptor, partialHomo sapiens (human)Potency0.70790.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency0.70020.000811.382244.6684AID686978; AID686979
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency1.41250.707912.194339.8107AID720542
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency15.18610.00798.23321,122.0200AID2546; AID2551
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
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]