Page last updated: 2024-12-09

1-(2-cyanoethyl)-6-(2-fluoro-4-methoxyphenyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

The chemical name you provided, **1-(2-cyanoethyl)-6-(2-fluoro-4-methoxyphenyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester**, is a complex organic molecule. It is a derivative of pyrazolo[3,4-b]pyridine, which is a heterocyclic compound with potential biological activity.

Here's a breakdown of why it might be important for research:

**Potential Importance:**

* **Pharmacological Activity:** The specific combination of functional groups in this molecule suggests it could exhibit various pharmacological activities. The pyrazolo[3,4-b]pyridine core is known to be associated with a wide range of biological effects, including anti-inflammatory, analgesic, and anticancer properties. The presence of functional groups like the cyanoethyl, fluoro, and methoxy groups can further influence its activity.
* **Drug Discovery:** Researchers might investigate this compound as a potential lead compound for developing new drugs. They would explore its activity against specific disease targets and optimize its properties (e.g., potency, selectivity, bioavailability) through chemical modifications.
* **Biological Research:** This compound could be used as a tool to study the functions of specific biological targets. By understanding its interactions with these targets, researchers can gain insights into their mechanisms of action and potential therapeutic applications.

**Further Research:**

To determine the true importance of this compound, researchers would need to conduct further investigations, including:

* **Synthesis:** Efficient synthesis of this molecule is crucial for further research.
* **Biological Testing:** Assessing the compound's activity against a range of biological targets (e.g., enzymes, receptors, cell lines) to identify potential therapeutic applications.
* **Pharmacokinetic studies:** Determining how the compound is absorbed, distributed, metabolized, and excreted in the body.
* **Safety studies:** Assessing the compound's safety profile, including toxicity and potential side effects.

**In Conclusion:**

The compound you mentioned is a complex organic molecule with potential for research due to its structural features and potential pharmacological activity. Further investigation is needed to explore its potential therapeutic value and optimize its properties for use in drug discovery or biological research.

Cross-References

ID SourceID
PubMed CID2421493
CHEMBL ID1330626
CHEBI ID105032

Synonyms (15)

Synonym
MLS000565041 ,
smr000152308
CHEBI:105032
ethyl 1-(2-cyanoethyl)-6-(2-fluoro-4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate
HMS2437K03
cid_2421493
ethyl 1-(2-cyanoethyl)-6-(2-fluoranyl-4-methoxy-phenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate
1-(2-cyanoethyl)-6-(2-fluoro-4-methoxyphenyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
1-(2-cyanoethyl)-6-(2-fluoro-4-methoxy-phenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester
bdbm78615
CHEMBL1330626
Q27182709
REGID_FOR_CID_2421493
Z55426270
way-628671
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
phenylpyridine
[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 (18)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency13.69950.044717.8581100.0000AID485294; AID485341
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency56.23410.631035.7641100.0000AID504339
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency25.11890.177814.390939.8107AID2147
Chain A, CruzipainTrypanosoma cruziPotency31.62280.002014.677939.8107AID1476
acid sphingomyelinaseHomo sapiens (human)Potency31.622814.125424.061339.8107AID504937
thioredoxin reductaseRattus norvegicus (Norway rat)Potency25.28550.100020.879379.4328AID588453; AID588456
ClpPBacillus subtilisPotency25.11891.995322.673039.8107AID651965
phosphopantetheinyl transferaseBacillus subtilisPotency19.95260.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency11.58210.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency23.26260.000811.382244.6684AID686978; AID686979
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency25.11890.011212.4002100.0000AID1030
alpha-galactosidaseHomo sapiens (human)Potency39.81074.466818.391635.4813AID2107
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency22.38720.035520.977089.1251AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency31.62280.001815.663839.8107AID894
chromobox protein homolog 1Homo sapiens (human)Potency17.78280.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency29.09290.00419.984825.9290AID504444
neuropeptide S receptor isoform AHomo sapiens (human)Potency7.94330.015812.3113615.5000AID1461
[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)
ubiquitin-conjugating enzyme E2 NHomo sapiens (human)IC50 (µMol)20.00000.873010.721978.4000AID493155
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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