Page last updated: 2024-12-09

1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl 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-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester**, is a complex organic molecule with a specific structure that likely exhibits interesting biological activity.

**Here's why it's potentially important for research:**

* **Novel Structure:** The combination of a pyridine core, a trimethoxyphenyl group, and a fluorophenylmethyl substituent is unusual. This unique structure could lead to interactions with biological targets not observed with more common molecules.
* **Potential Biological Activity:** The presence of multiple functional groups (methoxy, carboxylic esters, fluorine) suggests the compound could interact with enzymes, receptors, or other biological molecules. This opens the door for potential applications in medicine or drug discovery.
* **Pharmacological Research:** Scientists might use this compound as a starting point for developing new drugs or therapies. They could modify the structure to enhance desired properties and optimize its interaction with specific biological targets.
* **Chemical Biology Research:** This compound could be used as a probe to investigate the function of certain enzymes or pathways within cells. Its unique structure could allow for selective binding to specific proteins or molecules.
* **Material Science:** The combination of aromatic rings and functional groups could lend itself to applications in materials science, such as the development of new polymers or optical materials.

**Important Note:** Without additional context, it's impossible to say for sure why this particular compound is being studied. Research into this compound may be driven by specific hypotheses or research questions, or it could be part of a broader screening program.

**To find out more about the specific research relevance of this compound, you would need to consult scientific literature, databases, or reach out to researchers working in this field.**

Cross-References

ID SourceID
PubMed CID1073328
CHEMBL ID1404321
CHEBI ID104910

Synonyms (21)

Synonym
CBMICRO_021792
BIM-0022031.P001
MLS001212214 ,
smr000519022
1-(4-fluoro-benzyl)-4-(3,4,5-trimethoxy-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
STK055492
dimethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CHEBI:104910
AKOS000660499
dimethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4h-pyridine-3,5-dicarboxylate
CCG-14910
HMS2839L03
bdbm96155
1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4h-pyridine-3,5-dicarboxylic acid dimethyl ester
cid_1073328
1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-4h-pyridine-3,5-dicarboxylic acid dimethyl ester
CHEMBL1404321
3,5-dimethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Q27182578
SR-01000585110-1
sr-01000585110
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
dihydropyridine
[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 (16)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency12.84060.044717.8581100.0000AID485294; AID485341
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency89.12510.631035.7641100.0000AID504339
Chain A, Ferritin light chainEquus caballus (horse)Potency31.62285.623417.292931.6228AID485281
acid sphingomyelinaseHomo sapiens (human)Potency25.118914.125424.061339.8107AID504937
thioredoxin reductaseRattus norvegicus (Norway rat)Potency63.09570.100020.879379.4328AID588456
USP1 protein, partialHomo sapiens (human)Potency28.18380.031637.5844354.8130AID743255
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency25.11890.707912.194339.8107AID720542
glucocerebrosidaseHomo sapiens (human)Potency28.18380.01268.156944.6684AID2101
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency50.11870.035520.977089.1251AID504332
chromobox protein homolog 1Homo sapiens (human)Potency79.43280.006026.168889.1251AID540317
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency125.89203.548119.542744.6684AID743266
importin subunit beta-1 isoform 1Homo sapiens (human)Potency44.43845.804836.130665.1308AID540253; AID540263
snurportin-1Homo sapiens (human)Potency44.43845.804836.130665.1308AID540253; AID540263
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency32.64275.804816.996225.9290AID540253
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency35.48130.075215.225339.8107AID485360
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
fructose-bisphosphate aldolaseMycobacterium tuberculosis H37RvIC50 (µMol)1.65200.37031.78605.8150AID652135
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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