2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole is a chemical compound with the molecular formula C14H9N3O3.
Here's a breakdown of its structure and importance:
**Structure:**
* **1,3,4-oxadiazole:** This is the core ring structure, a heterocyclic ring containing one oxygen and two nitrogen atoms.
* **2-(3-nitrophenyl):** This indicates a 3-nitrophenyl group (a benzene ring with a nitro group at the 3rd position) attached to the 2nd position of the oxadiazole ring.
* **5-phenyl:** This indicates a phenyl group (a benzene ring) attached to the 5th position of the oxadiazole ring.
**Importance in Research:**
While the specific compound 2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole might not have widespread applications itself, 1,3,4-oxadiazoles in general, and especially those substituted with aromatic groups, are important in research due to their diverse biological and pharmacological activities.
Here's why:
* **Potential pharmacological activities:** 1,3,4-oxadiazoles have shown promise as:
* **Antibacterial agents:** They can inhibit the growth of bacteria.
* **Antiviral agents:** They can interfere with viral replication.
* **Anticancer agents:** They can inhibit the growth of cancer cells.
* **Anti-inflammatory agents:** They can reduce inflammation.
* **Anticonvulsants:** They can help control seizures.
* **Antidiabetic agents:** They can help regulate blood sugar levels.
* **Versatile building blocks:** The oxadiazole ring can be further modified with various substituents, allowing for the development of libraries of compounds with different properties.
* **Synthetic accessibility:** The synthesis of 1,3,4-oxadiazoles is relatively straightforward, making them suitable for medicinal chemistry studies.
**Specific to 2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole:**
Without specific research data, it's impossible to definitively say why this specific compound might be of interest. However, given its structure, it could be investigated for the following reasons:
* **Exploring the effect of the nitro group:** The nitro group is an electron-withdrawing group, which could influence the compound's biological activity, possibly making it more potent or selective.
* **Investigating the impact of different substitution patterns:** The phenyl group at the 5th position and the nitrophenyl group at the 2nd position might influence the compound's interaction with biological targets.
**Important Note:** To understand the specific importance of this compound, you would need to consult relevant research articles or databases.
ID Source | ID |
---|---|
PubMed CID | 577329 |
CHEMBL ID | 1427014 |
CHEBI ID | 119852 |
SCHEMBL ID | 10245542 |
Synonym |
---|
smr000287045 |
MLS000709882 , |
CHEBI:119852 |
AKOS000586392 |
2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole |
HMS2685C20 |
1874-38-0 |
F1018-0197 |
SCHEMBL10245542 |
cid_577329 |
bdbm63525 |
2-phenyl-5-(3-nitrophenyl)-1,3,4-oxadiazole (2j) |
CHEMBL1427014 |
2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole # |
1,2,4-oxadiazole, 5-(3-nitrophenyl)-3-phenyl- |
PPAQPCTUYHOPLY-UHFFFAOYSA-N |
Z50148819 |
Q27207333 |
2-(3-nitro-phenyl)-5-phenyl-(1,3,4)oxadiazole |
CS-0269876 |
Class | Description |
---|---|
C-nitro compound | A nitro compound having the nitro group (-NO2) attached to a carbon atom. |
[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) |
---|---|---|---|---|---|---|---|
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 15.1014 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
Nrf2 | Homo sapiens (human) | Potency | 4.0710 | 0.0920 | 8.2222 | 23.1093 | AID624171; AID651593; AID651597 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 8.6962 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 1.2589 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 8.9125 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 2.8184 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 23.1093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 2.2387 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
geminin | Homo sapiens (human) | Potency | 16.3601 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
Vpr | Human immunodeficiency virus 1 | Potency | 35.4813 | 1.5849 | 19.6264 | 63.0957 | AID651644 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 19.9526 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 3.9811 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
[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) |
---|---|---|---|---|---|---|---|
Hsf1 protein | Mus musculus (house mouse) | EC50 (µMol) | 195.0000 | 0.1600 | 24.4900 | 236.5000 | AID2382 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1801909 | Proteolytic Activity Assay from Article 10.1016/j.bioorg.2016.05.003: \\2,5-Diaryloxadiazoles and their precursors as novel inhibitors of cathepsins B, H and L.\\ | 2016 | Bioorganic chemistry, 08, Volume: 67 | 2,5-Diaryloxadiazoles and their precursors as novel inhibitors of cathepsins B, H and L. |
[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 (16.67) | 29.6817 |
2010's | 4 (66.67) | 24.3611 |
2020's | 1 (16.67) | 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 (12.35) 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 | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |