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.
ID Source | ID |
---|---|
PubMed CID | 4765929 |
CHEMBL ID | 1310888 |
CHEBI ID | 111195 |
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 |
Class | Description |
---|---|
benzoic acids | Any 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 15.8489 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 25.1189 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 0.7079 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
TDP1 protein | Homo sapiens (human) | Potency | 0.7002 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 1.4125 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 15.1861 | 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 |
---|---|---|---|---|
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. |
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. |
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
[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] |