**1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester** is a complex organic molecule with a specific structure and chemical properties. Its chemical name indicates the presence of various functional groups:
* **1-[(4-chlorophenyl)-oxomethyl]** refers to a substituent containing a chlorophenyl group (a benzene ring with a chlorine atom) linked to a carbonyl group (C=O)
* **5-hydroxy-5-phenyl** indicates a hydroxyl group (OH) and a phenyl group (a benzene ring) both attached to the same carbon atom (position 5) on the pyrazole ring.
* **4H-pyrazole-3-carboxylic acid methyl ester** identifies the main structure as a pyrazole ring (a 5-membered heterocyclic ring containing two nitrogen atoms) with a carboxylic acid group (COOH) at position 3 and a methyl ester group (COOCH3) attached to the carboxylic acid.
**Importance in research:**
Unfortunately, this specific compound is not widely studied or discussed in scientific literature. Therefore, it's challenging to determine its exact importance without further context or information.
**However, based on its structure and general features, this compound could potentially be relevant in various research areas:**
* **Medicinal Chemistry:** Pyrazoles are known to have diverse pharmacological activities. This molecule could be a potential drug candidate for treating various conditions, especially if it possesses anti-inflammatory, analgesic, or antimicrobial properties. The presence of a chlorophenyl group and a hydroxyl group might contribute to its biological activity.
* **Organic Synthesis:** This molecule could be a synthetic intermediate or building block for generating other complex organic compounds. Its unique structure and functional groups allow for various chemical modifications and transformations.
* **Materials Science:** The molecule could exhibit interesting optical or electronic properties due to the presence of aromatic rings and functional groups.
* **Analytical Chemistry:** The molecule could be used as a standard or reference compound for analytical techniques like chromatography or spectroscopy.
**To gain a better understanding of its importance, further information is needed:**
* **Origin of the molecule:** Where did this compound come from? Was it synthesized, isolated from a natural source, or is it a hypothetical molecule?
* **Research context:** What specific research project or area is this molecule associated with?
* **Published data:** Are there any scientific publications or data available on the properties or applications of this compound?
Once more information is available, we can better assess its significance in research.
ID Source | ID |
---|---|
PubMed CID | 2858902 |
CHEMBL ID | 1366656 |
CHEBI ID | 107093 |
Synonym |
---|
MLS000579119 , |
smr000186708 |
methyl 1-(4-chlorobenzoyl)-5-hydroxy-5-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate |
CBMICRO_048377 |
BIM-0048352.P001 |
CHEBI:107093 |
methyl 1-(4-chlorobenzoyl)-5-hydroxy-5-phenyl-4h-pyrazole-3-carboxylate |
HMS2499B20 |
REGID_FOR_CID_2858902 |
CHEMBL1366656 |
Q27185050 |
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4h-pyrazole-3-carboxylic acid methyl ester |
sr-01000216121 |
SR-01000216121-1 |
Class | Description |
---|---|
ring assembly | Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved. |
pyrazoles | |
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 0.0631 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 31.6228 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 21.3313 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
USP1 protein, partial | Homo sapiens (human) | Potency | 0.7943 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 39.8107 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
Smad3 | Homo sapiens (human) | Potency | 22.3872 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 19.9526 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 31.6228 | 0.0366 | 19.6376 | 50.1187 | AID2100 |
thyrotropin-releasing hormone receptor | Homo sapiens (human) | Potency | 18.3564 | 10.3225 | 14.3394 | 18.3564 | AID493078 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 1.2589 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 17.7828 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 23.3507 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 1.4125 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
Alpha-synuclein | Homo sapiens (human) | Potency | 19.9526 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 10.0000 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[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 90 | Candida albicans | EC50 (µMol) | 160.0000 | 0.1200 | 6.4855 | 33.8530 | AID2423 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
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. |
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. |
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. |
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. |
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. |
[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] |