Page last updated: 2024-12-10

2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

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.

Cross-References

ID SourceID
PubMed CID4334146
CHEMBL ID1399863
CHEBI ID121063

Synonyms (11)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
aromatic carboxylic acidAny carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.
pyridinesAny 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 Targets (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
ATAD5 protein, partialHomo sapiens (human)Potency18.35640.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency23.10930.000811.382244.6684AID686978
pyruvate kinaseLeishmania mexicana mexicanaPotency17.78280.398113.744731.6228AID1721; AID1722
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency8.91250.00798.23321,122.0200AID2551
Endothelin receptor type BRattus norvegicus (Norway rat)Potency17.78280.562315.160931.6228AID1721
Endothelin-1 receptorRattus norvegicus (Norway rat)Potency17.78280.562315.160931.6228AID1721
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (12)

Assay IDTitleYearJournalArticle
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, 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]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]