Let's break down the compound name and discuss its potential importance in research:
**Understanding the Structure**
* **[3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone** is a rather long and detailed chemical name. Let's dissect it piece by piece to understand the structure:
* **3,4-dihydropyrazol-2-yl:** This part indicates the presence of a pyrazole ring (a 5-membered ring containing two nitrogen atoms) with two hydrogen atoms attached at the 3rd and 4th positions, and the active group is attached at the 2nd position.
* **3-(2-hydroxyphenyl):** This part tells us that a 2-hydroxyphenyl group (a benzene ring with a hydroxyl group at the 2nd position) is attached at the 3rd position of the pyrazole ring.
* **5-(4-methoxyphenyl):** This part indicates that a 4-methoxyphenyl group (a benzene ring with a methoxy group (OCH3) at the 4th position) is attached at the 5th position of the pyrazole ring.
* **thiophen-2-ylmethanone:** This part indicates that the pyrazole ring is connected to a thiophene ring (a 5-membered ring containing a sulfur atom) through a ketone group (C=O) at the 2nd position of the thiophene ring.
**Potential Research Significance**
This compound, with its complex structure and diverse functional groups, could be of interest in various research areas:
* **Pharmacology and Drug Discovery:** Pyrazole derivatives are known to exhibit various pharmacological properties, including anti-inflammatory, analgesic, anticonvulsant, and antimicrobial activities. The presence of the 2-hydroxyphenyl, 4-methoxyphenyl, and thiophene moieties might further enhance these activities or introduce novel therapeutic properties.
* **Organic Chemistry and Material Science:** The compound's structure might be suitable for further synthetic modifications, leading to the development of new materials with interesting optical, electronic, or magnetic properties.
* **Biochemistry and Cell Biology:** The compound's ability to interact with biological systems, especially with enzymes or receptors, could be explored for understanding biological processes or developing new therapeutic agents.
**Important Note:** The importance of this specific compound is ultimately determined by its biological activity and potential applications. Without specific data on its properties, it's difficult to definitively state its significance.
**How to Learn More**
* **Chemical databases:** Search for the compound name in chemical databases like PubChem, ChemSpider, or SciFinder to find available information on its structure, properties, and potential applications.
* **Scientific literature:** Use the compound name or its structural features to search scientific articles and patents to see if it has been studied and what is known about it.
Please note that the information provided here is based on a general understanding of chemical structures and potential research areas. For specific details on this compound, further investigation using resources mentioned above is recommended.
ID Source | ID |
---|---|
PubMed CID | 5035618 |
CHEMBL ID | 1596097 |
CHEBI ID | 105302 |
Synonym |
---|
HMS2613N07 |
smr000324660 |
MLS000680043 |
STK028637 |
[5-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-1-yl](thiophen-2-yl)methanone |
CHEBI:105302 |
zinc04292051 , |
[3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone |
AKOS001151780 |
F1741-0099 |
(5-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-1-yl)(thiophen-2-yl)methanone |
364740-06-7 |
CHEMBL1596097 |
AKOS016882195 |
Q27183019 |
Z57476255 |
2-[3-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)-4,5-dihydro-1h-pyrazol-5-yl]phenol |
Class | Description |
---|---|
aromatic amide | An amide in which the amide linkage is bonded directly to an aromatic system. |
thiophenes | Compounds containing at least one thiophene 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 | 35.4813 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 79.4328 | 0.1000 | 20.8793 | 79.4328 | AID588456 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 23.2626 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 12.5893 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 35.4813 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
67.9K protein | Vaccinia virus | Potency | 12.9244 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
glucocerebrosidase | Homo sapiens (human) | Potency | 25.1189 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa) | Homo sapiens (human) | Potency | 44.6684 | 0.0165 | 25.3078 | 41.3999 | AID602332 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 23.1093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 12.5893 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
geminin | Homo sapiens (human) | Potency | 20.5962 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 0.4467 | 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 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 18.0635 | 1.9953 | 25.5327 | 50.1187 | AID624287; AID624288 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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. |
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. |
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. |
[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] |