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.
ID Source | ID |
---|---|
PubMed CID | 1094685 |
CHEMBL ID | 1389921 |
CHEBI ID | 120836 |
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 |
Class | Description |
---|---|
dimethoxybenzene | Any 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 19.9526 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 28.1838 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
acid sphingomyelinase | Homo sapiens (human) | Potency | 25.1189 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 11.2202 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 59.6217 | 0.1000 | 20.8793 | 79.4328 | AID588453; AID588456 |
glucocerebrosidase | Homo sapiens (human) | Potency | 35.4813 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 56.2341 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 112.2020 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
snurportin-1 | Homo sapiens (human) | Potency | 112.2020 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
geminin | Homo sapiens (human) | Potency | 0.5805 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
[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] |