Page last updated: 2024-12-09

1-Benzyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde

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

## 1-Benzyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde: Structure, Importance, and Research

**1-Benzyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde** is a complex organic molecule with the following structural features:

* **Pyrazole ring:** A five-membered ring containing two nitrogen atoms.
* **Pyridine ring:** A six-membered ring containing one nitrogen atom.
* **Benzyl group:** A phenyl ring attached to a methylene group (-CH2-).
* **Aldehyde group:** A carbonyl group (-CHO) attached to the pyrazole ring.

This specific structure grants this molecule potential importance in various research areas, including:

**1. Drug discovery:**

* **Pharmacological activity:** Pyrazole derivatives are known for their diverse biological activities, including anti-inflammatory, antibacterial, and anti-cancer properties. The presence of the pyridine and benzyl groups can further modify the pharmacological profile, leading to novel drug candidates.
* **Target identification:** The molecule's structure can be modified to target specific proteins or enzymes involved in various diseases, paving the way for the development of targeted therapies.

**2. Material science:**

* **Organic electronics:** The presence of conjugated systems (alternating double and single bonds) in the molecule could make it suitable for applications in organic electronics, such as organic light-emitting diodes (OLEDs) or solar cells.
* **Photochemistry:** The aldehyde group might exhibit photochromic properties, meaning it can change color under UV light irradiation, potentially leading to applications in optical sensors or data storage devices.

**3. Chemical synthesis:**

* **Building block:** The molecule could serve as a starting material or building block for synthesizing more complex molecules with desired properties, contributing to the advancement of organic synthesis techniques.

**Specific research areas where this molecule might be important:**

* **Targeting inflammation:** Its structure can be modified to inhibit specific enzymes involved in inflammatory pathways.
* **Developing new antibiotics:** Its potential antibacterial activity can be explored against antibiotic-resistant bacteria.
* **Cancer therapy:** Its structure can be modified to target specific cancer cell pathways or to deliver chemotherapy drugs more efficiently.

**However, it is crucial to note that the molecule's actual importance in research depends on the specific research area and the specific modifications made to its structure.**

**Further research and experimentation are needed to fully understand the potential applications and benefits of 1-Benzyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde.** This information will be crucial for unlocking its full potential in various scientific fields.

Cross-References

ID SourceID
PubMed CID2497380
CHEMBL ID1548894
CHEBI ID149826

Synonyms (20)

Synonym
956504-56-6
1-benzyl-3-(pyridin-3-yl)-1h-pyrazole-4-carbaldehyde
EN300-16575
MLS000772304 ,
smr000344540
AKOS001079838
CHEBI:149826
1-benzyl-3-pyridin-3-ylpyrazole-4-carbaldehyde
HMS2708E04
1-benzyl-3-pyridin-3-yl-1h-pyrazole-4-carbaldehyde
AB00583460-02
J-504286
1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxaldehyde
1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carbaldehyde
1-benzyl-3-(3-pyridyl)pyrazole-4-carbaldehyde
cid_2497380
bdbm47866
CHEMBL1548894
Z56346837
DTXSID701332223
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
anticoronaviral agentAny antiviral agent which inhibits the activity of coronaviruses.
[role 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]

Drug Classes (1)

ClassDescription
pyrazolopyridine
[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 (5)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
TDP1 proteinHomo sapiens (human)Potency18.35640.000811.382244.6684AID686978
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency2.90930.00419.984825.9290AID504444
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
survival motor neuron protein isoform dHomo sapiens (human)Potency35.48130.125912.234435.4813AID1458
[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)
3C-like protease, partialInfectious bronchitis virusIC50 (µMol)7.21401.08505.60679.8110AID1890
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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