1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide is a complex organic molecule with the following chemical structure:
* **1-phenyl:** A phenyl ring (C6H5) attached at position 1 of the pyrazole ring.
* **N-(3-pyridinylmethyl):** A 3-pyridinylmethyl group (C5H4NCH2) linked to the nitrogen atom at position 1 of the pyrazole ring.
* **3-thiophen-2-yl:** A thiophene ring (C4H4S) attached at position 3 of the pyrazole ring.
* **4-pyrazolecarboxamide:** A carboxamide group (CONH2) attached at position 4 of the pyrazole ring.
**Importance for Research:**
This specific compound, while not widely researched, likely holds potential due to its structure and functional groups. Here's why it might be of interest:
* **Heterocyclic Structure:** It contains a pyrazole ring, a common heterocyclic ring system found in many pharmaceuticals. Pyrazoles often exhibit pharmacological activity due to their ability to interact with biological targets.
* **Thiophene Ring:** The thiophene ring is known to enhance lipophilicity (fat solubility), which can increase the compound's ability to cross cell membranes and reach target sites.
* **Amide Group:** The carboxamide group is a common pharmacophore (part of a molecule responsible for its biological activity). Amides can interact with enzymes and receptors, influencing their activity.
* **Pyridinylmethyl Group:** The 3-pyridinylmethyl group can potentially modulate the compound's properties, such as its affinity for specific receptors or its metabolic stability.
**Possible Research Areas:**
1. **Drug Discovery:** 1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide could be a starting point for the development of new drugs with therapeutic potential. It may exhibit activity against a range of biological targets, such as enzymes, receptors, or ion channels.
2. **Material Science:** The compound's unique structure might lend itself to applications in materials science, such as the development of new polymers, sensors, or catalysts.
3. **Bioorganic Chemistry:** Researchers could study how the compound interacts with different biomolecules, providing insights into the mechanism of action and potential therapeutic applications.
**Note:** It is crucial to remember that simply having a complex structure does not guarantee a compound's importance. Further research is required to determine the actual properties and potential applications of this specific molecule.
ID Source | ID |
---|---|
PubMed CID | 2311632 |
CHEMBL ID | 1471047 |
CHEBI ID | 104883 |
Synonym |
---|
smr000060422 |
MLS000048729 |
CHEBI:104883 |
1-phenyl-n-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide |
MLS002633154 |
HMS2489D08 |
CHEMBL1471047 |
1-phenyl-n-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide |
Q27182549 |
Z30173223 |
AKOS034125988 |
Class | Description |
---|---|
pyrazoles | |
ring assembly | Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved. |
[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 | 89.1251 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 31.6228 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 8.0060 | 0.0072 | 15.7588 | 89.3584 | AID411; AID588342 |
USP1 protein, partial | Homo sapiens (human) | Potency | 5.6234 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 3.9811 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
P53 | Homo sapiens (human) | Potency | 11.2202 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 7.0795 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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. |
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 | |||
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] |