Page last updated: 2024-12-09

1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-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-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester**, is a complex organic molecule. Its importance lies in its potential as a **pharmaceutical lead compound** due to its structural features and potential biological activity.

Here's a breakdown of why it's of interest to researchers:

**Structural Features:**

* **Pyridine core:** The central pyridine ring is a common motif in pharmaceuticals, often associated with activity in the nervous system.
* **Substituted phenyl rings:** The two phenyl rings attached to the pyridine core are further substituted with functional groups like hydroxy and methoxy. These substituents can influence the molecule's properties, including its binding affinity to target proteins.
* **Ester groups:** The dimethyl ester groups at the carboxylic acid positions are potentially modifiable for drug delivery and targeting.

**Potential Biological Activity:**

While the specific biological activity of this compound is not explicitly mentioned, its structural features suggest several potential applications:

* **Anti-inflammatory:** The hydroxy group on the phenyl ring could interact with inflammatory pathways.
* **Antioxidant:** The methoxy groups on the phenyl ring could contribute to antioxidant activity.
* **Neuroactive:** The pyridine core and substituents could influence neurotransmitter receptors or signaling pathways.

**Importance for Research:**

This compound is likely of interest to researchers who are investigating:

* **New drug discovery:** The potential biological activity suggests it could be a lead compound for developing new pharmaceuticals.
* **Structure-activity relationships:** Studying this molecule and its derivatives could provide insights into how modifications to its structure affect its activity.
* **Medicinal chemistry:** Understanding its synthesis and chemical properties could lead to development of new synthetic pathways or modifications for improved drug candidates.

**Note:** This is a hypothetical analysis based on the structure. To understand the actual importance of this compound, it's crucial to know the specific research context and any published findings related to its biological activity or potential applications.

Cross-References

ID SourceID
PubMed CID1094685
CHEMBL ID1389921
CHEBI ID120836

Synonyms (13)

Synonym
MLS001206219
smr000524564
1-(3,4-dimethoxy-benzyl)-4-(4-hydroxy-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
STK407563
dimethyl 1-(3,4-dimethoxybenzyl)-4-(4-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CHEBI:120836
AKOS000666711
HMS2838M24
dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-4h-pyridine-3,5-dicarboxylate
CHEMBL1389921
3,5-dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Q27208980
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-4h-pyridine-3,5-dicarboxylic acid dimethyl ester
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
dimethoxybenzeneAny methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its 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 (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency19.95260.044717.8581100.0000AID485341
Chain A, Ferritin light chainEquus caballus (horse)Potency28.18385.623417.292931.6228AID485281
acid sphingomyelinaseHomo sapiens (human)Potency25.118914.125424.061339.8107AID504937
glp-1 receptor, partialHomo sapiens (human)Potency11.22020.01846.806014.1254AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency59.62170.100020.879379.4328AID588453; AID588456
glucocerebrosidaseHomo sapiens (human)Potency35.48130.01268.156944.6684AID2101
chromobox protein homolog 1Homo sapiens (human)Potency56.23410.006026.168889.1251AID540317
importin subunit beta-1 isoform 1Homo sapiens (human)Potency112.20205.804836.130665.1308AID540263
snurportin-1Homo sapiens (human)Potency112.20205.804836.130665.1308AID540263
gemininHomo sapiens (human)Potency0.58050.004611.374133.4983AID624296
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency31.62280.00419.962528.1838AID2675
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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]