## 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.
ID Source | ID |
---|---|
PubMed CID | 2497380 |
CHEMBL ID | 1548894 |
CHEBI ID | 149826 |
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 |
Role | Description |
---|---|
anticoronaviral agent | Any 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] |
Class | Description |
---|---|
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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
TDP1 protein | Homo sapiens (human) | Potency | 18.3564 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 2.9093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 35.4813 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
[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) |
---|---|---|---|---|---|---|---|
3C-like protease, partial | Infectious bronchitis virus | IC50 (µMol) | 7.2140 | 1.0850 | 5.6067 | 9.8110 | AID1890 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
[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] |