You're describing a specific chemical compound, and while I can break down its name and structure, I can't give you definitive information on its research significance. Here's why:
**Understanding the Compound:**
* **[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]** This part of the name describes a pyrazole ring (a 5-membered ring containing two nitrogen atoms). It's substituted with two difluoromethyl groups (CHF2) at positions 3 and 5, and a hydroxyl group (OH) at position 5.
* **[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone** This part describes a quinoline ring (a fused benzene and pyridine ring) substituted with a 4-propan-2-ylphenyl group (an isopropyl group attached to a phenyl ring) at position 2. The methanone indicates a carbonyl group (C=O) attached to the quinoline ring.
**Importance in Research:**
* **Chemical Synthesis and Structure-Activity Relationships (SAR):** The compound you described is likely a synthetic product, meaning it was created in a laboratory. Chemists create and study such compounds to understand how different functional groups and structures affect a molecule's properties (like reactivity, stability, and biological activity). This research informs the design of new drugs and materials.
* **Pharmacology and Medicinal Chemistry:** The compound might have potential biological activity and could be a lead compound for drug development. It might target a specific protein or enzyme in the body, potentially leading to therapeutic benefits.
* **Material Science:** The compound could have applications in material science, such as creating new polymers, catalysts, or sensors.
* **Other Research Areas:** Depending on the compound's properties, it could be relevant to various research fields, including environmental science, agricultural chemistry, or organic electronics.
**Finding Information:**
To find information about the specific compound's research significance, you'd need to search through scientific databases and publications. Here are some tips:
1. **Search Chemical Databases:** Look up the compound in databases like PubChem, SciFinder, Reaxys, and ChemSpider. These databases often contain information about chemical properties, synthesis methods, and potential biological activities.
2. **Search Scientific Literature:** Use keywords like the compound's name, its structural components, and potential biological activities to search in databases like PubMed, Scopus, and Google Scholar.
3. **Contact Researchers:** If you find related research publications, you can often contact the authors directly to ask questions about their work.
Remember that a compound's importance in research depends on its specific properties and how it relates to the research questions being addressed.
ID Source | ID |
---|---|
PubMed CID | 4178804 |
CHEMBL ID | 1481836 |
CHEBI ID | 107138 |
Synonym |
---|
3,5-bis(difluoromethyl)-1-{[2-(4-isopropylphenyl)-4-quinolinyl]carbonyl}-4,5-dihydro-1h-pyrazol-5-ol |
AK-968/41923789 |
smr000160155 |
MLS000538056 , |
STK449426 |
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1h-pyrazol-1-yl]{2-[4-(propan-2-yl)phenyl]quinolin-4-yl}methanone |
CHEBI:107138 |
[3,5-bis(difluoromethyl)-5-hydroxy-4h-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone |
AKOS003293679 |
HMS2454H13 |
CHEMBL1481836 |
AKOS022147609 |
[3,5-bis(difluoromethyl)-5-hydroxy-2-pyrazolin-1-yl]-(2-p-cumenyl-4-quinolyl)methanone |
[3,5-bis(difluoromethyl)-5-hydroxy-4h-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone |
cid_4178804 |
[3,5-bis[bis(fluoranyl)methyl]-5-oxidanyl-4h-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone |
bdbm57266 |
Q27185188 |
Class | Description |
---|---|
quinolines | A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring. |
[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, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 25.1189 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 12.5893 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 1.5101 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 28.1838 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
ClpP | Bacillus subtilis | Potency | 28.1838 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 3.9322 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
USP1 protein, partial | Homo sapiens (human) | Potency | 44.6684 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
TDP1 protein | Homo sapiens (human) | Potency | 31.8326 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 15.8489 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
PINK1 | Homo sapiens (human) | Potency | 19.9526 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
glucocerebrosidase | Homo sapiens (human) | Potency | 15.8489 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
Parkin | Homo sapiens (human) | Potency | 19.9526 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
P53 | Homo sapiens (human) | Potency | 50.1187 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
IDH1 | Homo sapiens (human) | Potency | 25.1189 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 1.4125 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 2.5119 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 35.4813 | 0.0018 | 15.6638 | 39.8107 | AID894 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 100.0000 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 39.8107 | 0.1337 | 25.4129 | 89.1251 | AID588795 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 4.4668 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
snurportin-1 | Homo sapiens (human) | Potency | 100.0000 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 22.3872 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
geminin | Homo sapiens (human) | Potency | 19.9741 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 17.7828 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 28.1838 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 1.4125 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 1.4125 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 50.1187 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 25.1189 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 35.4813 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
XBP1 | Homo sapiens (human) | IC50 (µMol) | 5.0200 | 0.1600 | 5.4049 | 10.0000 | AID504313 |
DNA damage-inducible transcript 3 protein | Mus musculus (house mouse) | IC50 (µMol) | 8.3800 | 0.1600 | 3.9959 | 10.0000 | AID504322 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
streptokinase A precursor | Streptococcus pyogenes M1 GAS | EC50 (µMol) | 76.5570 | 0.0600 | 8.9128 | 130.5170 | AID1902; AID1914 |
Estrogen receptor | Rattus norvegicus (Norway rat) | EC50 (µMol) | 150.0000 | 0.0060 | 22.3670 | 130.5170 | AID1914 |
Estrogen receptor beta | Rattus norvegicus (Norway rat) | EC50 (µMol) | 150.0000 | 0.0060 | 22.3670 | 130.5170 | AID1914 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
heat shock protein HSP 90-alpha isoform 2 | Homo sapiens (human) | AC50 | 4.0590 | 0.1950 | 3.6679 | 18.6960 | AID540270 |
heat shock protein 90, putative | Plasmodium falciparum 3D7 | AC50 | 4.2370 | 0.1950 | 4.9920 | 98.5000 | AID540268 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for 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. |
[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] |