Page last updated: 2024-12-09

1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl 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, **1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester**, is a complex organic molecule with potential applications in various areas of research.

Here's a breakdown of its structure and potential significance:

**Structure:**

* **1-(3-fluorophenyl)**: This part indicates a phenyl ring (a six-membered carbon ring with alternating double bonds) attached to the first position of the core molecule (4H-pyridine). The phenyl ring also contains a fluorine atom at the 3rd position.
* **4-(4-hydroxy-3-methoxy-5-nitrophenyl)**: This part describes another phenyl ring attached to the 4th position of the pyridine ring. This phenyl ring has additional functional groups: a hydroxyl group (OH) at the 4th position, a methoxy group (OCH3) at the 3rd position, and a nitro group (NO2) at the 5th position.
* **4H-pyridine-3,5-dicarboxylic acid diethyl ester**: This is the core structure of the molecule. It's a pyridine ring (a six-membered nitrogen-containing ring) with a hydrogen atom (H) at the 4th position. There are two carboxyl groups (COOH) attached to the 3rd and 5th positions of the pyridine ring, and both are esterified with ethyl groups (CH3CH2O).

**Importance in Research:**

The complex structure of this compound suggests potential for various research applications. The presence of multiple functional groups and the aromatic nature of the molecule make it a candidate for:

* **Pharmaceutical Research:** The molecule could exhibit pharmacological activity due to its structural features. The presence of a nitro group and hydroxyl group might influence its activity as an inhibitor or activator of certain biological pathways. The ester groups could enhance its absorption or bioavailability.
* **Materials Science:** The molecule's aromatic rings and functional groups could contribute to its potential as a building block for new materials with specific properties like conductivity, optical properties, or mechanical strength.
* **Synthetic Chemistry:** The molecule could serve as a starting point for the development of new synthetic methods or the creation of novel molecules with desired functionalities.
* **Biological Activity:** The specific combination of substituents on the phenyl rings could influence its interactions with biological targets, leading to potential uses as drugs, pesticides, or herbicides.

**Important Note:**

It's crucial to remember that this is a complex molecule with potential applications that are still under investigation. Further research is needed to determine its exact properties and potential uses.

**To understand the specific importance of this compound, you would need to consult:**

* **Scientific publications:** Search for articles that mention this compound or related molecules.
* **Databases:** Search for information about this compound in chemical databases like PubChem, ChemSpider, or Reaxys.
* **Research groups:** Contact research groups specializing in organic chemistry, medicinal chemistry, or materials science.

By accessing these resources, you can gain more in-depth knowledge about the importance of this compound in research.

Cross-References

ID SourceID
PubMed CID2233519
CHEMBL ID1497759
CHEBI ID114860

Synonyms (13)

Synonym
smr000201398
MLS000582696 ,
diethyl 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
STK407118
diethyl 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CHEBI:114860
AKOS003371376
diethyl 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4h-pyridine-3,5-dicarboxylate
HMS2488L16
MLS003907503
CHEMBL1497759
Q27196567
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4h-pyridine-3,5-dicarboxylic acid diethyl ester
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
aromatic etherAny ether in which the oxygen is attached to at least one aryl substituent.
C-nitro compoundA nitro compound having the nitro group (-NO2) attached to a carbon atom.
[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 (20)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency39.81070.631035.7641100.0000AID504339
LuciferasePhotinus pyralis (common eastern firefly)Potency23.93410.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency28.18380.01846.806014.1254AID624417
GLS proteinHomo sapiens (human)Potency11.22020.35487.935539.8107AID624170
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency12.58930.180013.557439.8107AID1460
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency19.95260.707936.904389.1251AID504333
IDH1Homo sapiens (human)Potency35.48130.005210.865235.4813AID686970
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency12.58930.036619.637650.1187AID1466; AID2242
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency19.95260.001815.663839.8107AID894
chromobox protein homolog 1Homo sapiens (human)Potency50.11870.006026.168889.1251AID540317
huntingtin isoform 2Homo sapiens (human)Potency25.11890.000618.41981,122.0200AID1688
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency23.77810.168316.404067.0158AID720504
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency31.62280.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency12.58930.00798.23321,122.0200AID2546
neuropeptide S receptor isoform AHomo sapiens (human)Potency12.58930.015812.3113615.5000AID1461
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency12.58933.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency12.58933.548118.039535.4813AID1466
TAR DNA-binding protein 43Homo sapiens (human)Potency19.95261.778316.208135.4813AID652104
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
scavenger receptor class B member 1 isoform 1Mus musculus (house mouse)AC507.72000.002017.4169260.9550AID540326
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (18)

Processvia Protein(s)Taxonomy
negative regulation of protein phosphorylationTAR DNA-binding protein 43Homo sapiens (human)
mRNA processingTAR DNA-binding protein 43Homo sapiens (human)
RNA splicingTAR DNA-binding protein 43Homo sapiens (human)
negative regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
regulation of protein stabilityTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of insulin secretionTAR DNA-binding protein 43Homo sapiens (human)
response to endoplasmic reticulum stressTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of protein import into nucleusTAR DNA-binding protein 43Homo sapiens (human)
regulation of circadian rhythmTAR DNA-binding protein 43Homo sapiens (human)
regulation of apoptotic processTAR DNA-binding protein 43Homo sapiens (human)
negative regulation by host of viral transcriptionTAR DNA-binding protein 43Homo sapiens (human)
rhythmic processTAR DNA-binding protein 43Homo sapiens (human)
regulation of cell cycleTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA destabilizationTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA stabilizationTAR DNA-binding protein 43Homo sapiens (human)
nuclear inner membrane organizationTAR DNA-binding protein 43Homo sapiens (human)
amyloid fibril formationTAR DNA-binding protein 43Homo sapiens (human)
regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (10)

Processvia Protein(s)Taxonomy
RNA polymerase II cis-regulatory region sequence-specific DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
double-stranded DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
RNA bindingTAR DNA-binding protein 43Homo sapiens (human)
mRNA 3'-UTR bindingTAR DNA-binding protein 43Homo sapiens (human)
protein bindingTAR DNA-binding protein 43Homo sapiens (human)
lipid bindingTAR DNA-binding protein 43Homo sapiens (human)
identical protein bindingTAR DNA-binding protein 43Homo sapiens (human)
pre-mRNA intronic bindingTAR DNA-binding protein 43Homo sapiens (human)
molecular condensate scaffold activityTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
intracellular non-membrane-bounded organelleTAR DNA-binding protein 43Homo sapiens (human)
nucleusTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
perichromatin fibrilsTAR DNA-binding protein 43Homo sapiens (human)
mitochondrionTAR DNA-binding protein 43Homo sapiens (human)
cytoplasmic stress granuleTAR DNA-binding protein 43Homo sapiens (human)
nuclear speckTAR DNA-binding protein 43Homo sapiens (human)
interchromatin granuleTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
chromatinTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID1745845Primary 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.
[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]