1,3-diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester is a **complex organic compound** with a rather lengthy name. Unfortunately, without specific context or research focus, it's impossible to definitively say why it's important for research.
Here's a breakdown of the information and some potential reasons for its importance:
**Understanding the Structure:**
* **1,3-diphenyl-4-pyrazolecarboxylic acid:** This part indicates the core structure is a pyrazole ring (a 5-membered ring with two nitrogen atoms) with two phenyl groups (benzene rings) attached at positions 1 and 3, and a carboxylic acid group at position 4.
* **[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester:** This part tells us the carboxylic acid group is esterified with a specific side chain. This side chain consists of a ketone group (2-oxoethyl) attached to a substituted benzene ring (4-methyl-3-nitrophenyl).
**Possible Research Applications:**
Given its structural features, this compound could be relevant in several research areas:
* **Medicinal Chemistry:**
* Pyrazoles are known for their biological activity, often acting as anti-inflammatory, analgesic, or antibacterial agents.
* The ester linkage and the substituted benzene ring could further modify the compound's pharmacokinetic properties, affecting its absorption, distribution, metabolism, and excretion.
* **Materials Science:**
* The compound's structure suggests it might possess interesting optical or electronic properties.
* The presence of the nitro group could be useful for creating functional materials.
* **Organic Synthesis:**
* The compound might be a valuable intermediate for synthesizing other complex molecules with diverse properties.
**To understand the compound's importance, you need more context:**
* **What specific research project are you interested in?**
* **What are the potential applications of the compound?**
* **What are the key properties that make it interesting for research?**
Once you provide more details, I can give you a more relevant and specific answer.
ID Source | ID |
---|---|
PubMed CID | 1128694 |
CHEMBL ID | 1345279 |
CHEBI ID | 115462 |
Synonym |
---|
MLS000569041 |
1,3-diphenyl-1h-pyrazole-4-carboxylic acid 2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl ester |
smr000177183 |
CHEBI:115462 |
AKOS000748846 |
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 1,3-diphenyl-1h-pyrazole-4-carboxylate |
STK862843 |
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate |
HMS2556A05 |
CHEMBL1345279 |
Q27197314 |
1,3-diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester |
Class | Description |
---|---|
aromatic ketone | A ketone in which the carbonyl group is attached to an aromatic 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, Cruzipain | Trypanosoma cruzi | Potency | 39.8107 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 22.3872 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 60.1198 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
geminin | Homo sapiens (human) | Potency | 8.1995 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 14.1254 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
[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. |
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 | |||
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. |
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. |
AID651635 | Viability Counterscreen for 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] |