The compound you described, **2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester**, is a complex organic molecule with a specific structure and a potential role in chemical research. Let's break down its components:
**Structure:**
* **2-(2-fluoroanilino)-3-pyridinecarboxylic acid:** This part indicates a pyridinecarboxylic acid molecule (a heterocyclic ring with a nitrogen atom and a carboxylic acid group) where the carbon at position 2 is connected to a 2-fluoroaniline (a benzene ring with a fluorine atom and an amino group at position 2).
* **[2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester:** This part describes a complex ester group attached to the carboxylic acid. It consists of a 2-oxoethyl (acetyl) group linked to a nitrogen atom. The nitrogen atom is further connected to a methylamine group and a 1,1-dioxo-3-thiolanyl group (a five-membered ring containing sulfur and two oxygen atoms).
**Potential Importance in Research:**
Without specific context or research publications mentioning this particular compound, it's challenging to definitively state its importance. However, its structure suggests potential applications in the following areas:
* **Drug Discovery:** The combination of a heterocyclic ring, an aromatic amine, and a sulfur-containing group is commonly found in drug molecules. This compound could possess interesting pharmacological properties and be used as a starting point for developing new drugs.
* **Chemical Synthesis:** The complex structure of this compound could be utilized as a synthetic building block for other molecules with desired functionalities. This could be relevant for creating new catalysts, materials, or other chemicals.
* **Biological Studies:** The presence of a pyridinecarboxylic acid moiety might allow this compound to interact with biological systems, potentially affecting enzyme activity or cellular processes. This could be explored in biological research.
**Key Points:**
* The compound's structure is complex, suggesting potential applications in various fields.
* Its specific importance in research depends on the context and intended use.
* Further research is needed to determine its specific properties and applications.
To learn more about this compound's importance, it's crucial to find relevant research publications or scientific studies that discuss its synthesis, characterization, and potential applications.
ID Source | ID |
---|---|
PubMed CID | 4334146 |
CHEMBL ID | 1399863 |
CHEBI ID | 121063 |
Synonym |
---|
HMS2620G14 |
MLS000334364 |
smr000249122 |
CHEBI:121063 |
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate |
AB00555299-06 |
CHEMBL1399863 |
Q27209302 |
2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester |
Z15692528 |
AKOS033434845 |
Class | Description |
---|---|
aromatic carboxylic acid | Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. |
pyridines | Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives. |
[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) |
---|---|---|---|---|---|---|---|
ATAD5 protein, partial | Homo sapiens (human) | Potency | 18.3564 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 23.1093 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
pyruvate kinase | Leishmania mexicana mexicana | Potency | 17.7828 | 0.3981 | 13.7447 | 31.6228 | AID1721; AID1722 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 8.9125 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
Endothelin receptor type B | Rattus norvegicus (Norway rat) | Potency | 17.7828 | 0.5623 | 15.1609 | 31.6228 | AID1721 |
Endothelin-1 receptor | Rattus norvegicus (Norway rat) | Potency | 17.7828 | 0.5623 | 15.1609 | 31.6228 | AID1721 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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 | |||
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. |
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. |
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. |
[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] |