## 2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetic acid methyl ester
This is a chemical compound with the following properties:
* **Molecular formula:** C₁₃H₁₂N₂O₃
* **Molecular weight:** 244.25 g/mol
* **Appearance:** White solid
* **CAS Number:** 99062-23-7
**Structure:**
The structure of the compound can be understood as:
* **Pyrazole ring:** A five-membered heterocyclic ring containing two nitrogen atoms and a carbonyl group (C=O) at position 3.
* **Phenyl group:** A benzene ring attached to the pyrazole ring at position 2.
* **Acetic acid methyl ester group:** A methyl ester (CH₃COOCH₃) attached to the pyrazole ring at position 5.
**Importance for Research:**
This compound is a potential **synthetic precursor** for various research applications, including:
* **Pharmaceutical research:**
* Pyrazoles are known for their pharmacological activities like anti-inflammatory, analgesic, and anti-microbial properties.
* This compound can serve as a starting material for synthesizing novel pyrazole-based drugs.
* **Organic chemistry research:**
* It can be used as a reagent in various organic reactions like alkylation, acylation, and condensation reactions.
* Its structure allows for further functionalization and modification, leading to new and interesting chemical compounds.
* **Material science research:**
* Pyrazoles can act as ligands for metal complexes, which are important for developing new catalysts and materials with unique properties.
**Overall, the research significance of 2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetic acid methyl ester lies in its potential to be a versatile building block for synthesizing new compounds with potential applications in diverse scientific fields.**
**Note:** It's important to remember that this is a generic description of the compound's potential. Its actual use and importance might vary depending on the specific research area and the intended application.
ID Source | ID |
---|---|
PubMed CID | 715399 |
CHEMBL ID | 3145102 |
CHEBI ID | 116635 |
SCHEMBL ID | 11371857 |
Synonym |
---|
HMS1588F17 |
HMS1774B02 |
AKOS001122045 |
105041-27-8 |
EN300-13090 |
methyl 2-(5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-3-yl)acetate |
SDCCGMLS-0008509.P002 |
smr000073087 |
MLS000062399 , |
methyl (5-hydroxy-1-phenyl-1h-pyrazol-3-yl)acetate |
CBKINASE1_014931 |
CBKINASE1_002531 |
STK052132 |
CHEBI:116635 |
AKOS000321266 |
BRD-K43671236-001-01-6 |
methyl 2-(3-oxo-2-phenyl-1h-pyrazol-5-yl)acetate |
STK858374 |
methyl (5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-3-yl)acetate |
HMS2505D07 |
BBL012461 |
SCHEMBL11371857 |
(5-hydroxy-1-phenyl-1h-pyrazol-3-yl)acetic acid, methyl ester |
523992-03-2 |
bdbm70406 |
cid_715399 |
2-(3-oxo-2-phenyl-1h-pyrazol-5-yl)acetic acid methyl ester |
2-(5-keto-1-phenyl-3-pyrazolin-3-yl)acetic acid methyl ester |
methyl 2-(3-oxidanylidene-2-phenyl-1h-pyrazol-5-yl)ethanoate |
CHEMBL3145102 |
Q27200940 |
mfcd03488906 |
sr-01000264389 |
SR-01000264389-1 |
methyl 2-(5-hydroxy-1-phenyl-1h-pyrazol-3-yl)acetate |
DTXSID00351963 |
methyl(5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-3-yl)acetate |
VS-03355 |
CS-0347403 |
Z89265785 |
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, Beta-lactamase | Escherichia coli K-12 | Potency | 89.1251 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 89.1251 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 25.1189 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 8.9125 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 95.2834 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 79.4328 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 0.1585 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 3.9811 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
[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) |
---|---|---|---|---|---|---|---|
recombinase A | Mycobacterium tuberculosis H37Rv | EC50 (µMol) | 41.9150 | 0.0180 | 23.2882 | 287.6000 | AID434968; AID435010 |
[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) |
---|---|---|---|---|---|---|---|
replicative DNA helicase | Mycobacterium tuberculosis H37Rv | AC50 | 106.5700 | 0.0570 | 30.7482 | 325.3000 | AID449749; AID449750 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
protein binding | Glycoprotein hormones alpha chain | Homo sapiens (human) |
follicle-stimulating hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
extracellular region | Glycoprotein hormones alpha chain | Homo sapiens (human) |
extracellular space | Glycoprotein hormones alpha chain | Homo sapiens (human) |
Golgi lumen | Glycoprotein hormones alpha chain | Homo sapiens (human) |
follicle-stimulating hormone complex | Glycoprotein hormones alpha chain | Homo sapiens (human) |
pituitary gonadotropin complex | Glycoprotein hormones alpha chain | Homo sapiens (human) |
extracellular space | Glycoprotein hormones alpha chain | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase 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 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |