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.**
| ID Source | ID |
|---|---|
| PubMed CID | 1073328 |
| CHEMBL ID | 1404321 |
| CHEBI ID | 104910 |
| 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 |
| Class | Description |
|---|---|
| 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 12.8406 | 0.0447 | 17.8581 | 100.0000 | AID485294; AID485341 |
| Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 89.1251 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
| Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 31.6228 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
| acid sphingomyelinase | Homo sapiens (human) | Potency | 25.1189 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 63.0957 | 0.1000 | 20.8793 | 79.4328 | AID588456 |
| USP1 protein, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
| apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 25.1189 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
| glucocerebrosidase | Homo sapiens (human) | Potency | 28.1838 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
| euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 50.1187 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 79.4328 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
| parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 125.8920 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
| importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 44.4384 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
| snurportin-1 | Homo sapiens (human) | Potency | 44.4384 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
| GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 32.6427 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
| lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 35.4813 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| fructose-bisphosphate aldolase | Mycobacterium tuberculosis H37Rv | IC50 (µMol) | 1.6520 | 0.3703 | 1.7860 | 5.8150 | AID652135 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| AID1745845 | 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. |
| 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. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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. |
| [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] | ||