2-(3-nitrophenyl)-3,1-benzoxazin-4-one is an organic compound with a complex chemical structure. It belongs to a class of compounds called benzoxazinones, which are known for their diverse pharmacological activities.
Here's a breakdown of its significance in research:
**Structure and Properties:**
* **Benzoxazinone core:** The molecule contains a benzoxazinone ring system, a common structural feature in many bioactive compounds. This ring system often exhibits a high degree of stability and can interact with biological targets.
* **Nitro group:** The nitro group (NO2) attached to the phenyl ring is a key functional group in this molecule. It can influence the compound's electronic properties and potentially contribute to its activity.
**Potential Biological Activities:**
* **Antimicrobial activity:** Benzoxazinones have been reported to exhibit antimicrobial properties against bacteria, fungi, and even viruses. The specific mechanism of action may vary depending on the compound's structure.
* **Anti-inflammatory activity:** Some benzoxazinones have been found to possess anti-inflammatory effects, which could be relevant for treating conditions like arthritis and inflammatory bowel disease.
* **Anti-cancer activity:** Research suggests that certain benzoxazinones may exhibit anti-cancer activity by inhibiting the growth of cancer cells.
* **Other potential applications:** Benzoxazinones are also being investigated for their potential in areas like pain management, neuroprotection, and cardiovascular health.
**Research Importance:**
* **Drug discovery:** The diverse pharmacological activities of benzoxazinones make them attractive targets for drug discovery research. Scientists are studying their structure-activity relationships to develop new and more effective drugs for various diseases.
* **Mechanism of action studies:** Investigating the mechanisms by which benzoxazinones exert their biological effects can provide valuable insights into cellular processes and help design more targeted therapies.
* **Synthetic chemistry:** The unique chemical structure of benzoxazinones poses synthetic challenges. Researchers are developing efficient and sustainable methods to synthesize these compounds and explore their derivatives.
**Overall, 2-(3-nitrophenyl)-3,1-benzoxazin-4-one, along with other benzoxazinones, is a promising area of research with potential for developing novel and valuable therapeutic agents.**
**Note:** The specific biological activities and research findings related to this compound may vary depending on the study and the specific derivative being investigated.
ID Source | ID |
---|---|
PubMed CID | 294660 |
CHEMBL ID | 422484 |
CHEBI ID | 116645 |
SCHEMBL ID | 692321 |
Synonym |
---|
2-(3-nitro-phenyl)-benzo[d][1,3]oxazin-4-one |
nsc-163529 |
nsc163529 |
16063-03-9 |
smr000513334 |
MLS001207438 |
STK391592 |
2-(3-nitrophenyl)-4h-3,1-benzoxazin-4-one |
CHEBI:116645 |
CHEMBL422484 , |
AKOS000748596 |
2-(3-nitrophenyl)-3,1-benzoxazin-4-one |
4h-3,1-benzoxazin-4-one,2-(3-nitrophenyl)- |
HMS2846O22 |
SCHEMBL692321 |
JS-0690 |
bdbm50449429 |
SR-01000500188-1 |
sr-01000500188 |
Q27200950 |
DTXSID60303923 |
2-(3-nitrophenyl)-4h-benzo[d][1,3]oxazin-4-one |
CS-0328612 |
4h-3,1-benzoxazin-4-one, 2-(3-nitrophenyl)- |
Class | Description |
---|---|
benzoxazine | |
[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 | 23.9341 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 0.4467 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
WRN | Homo sapiens (human) | Potency | 50.1187 | 0.1683 | 31.2583 | 100.0000 | AID651768 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 44.6684 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 79.4328 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 7.9433 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 9.4662 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 100.0000 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
Vpr | Human immunodeficiency virus 1 | Potency | 63.0957 | 1.5849 | 19.6264 | 63.0957 | AID651644 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 3.1623 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[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) |
---|---|---|---|---|---|---|---|
Chymotrypsinogen A | Bos taurus (cattle) | IC50 (µMol) | 341.1000 | 0.9800 | 4.0560 | 7.2000 | AID1802581 |
Chymotrypsinogen A | Bos taurus (cattle) | Ki | 341.2000 | 0.9000 | 4.0000 | 8.7000 | AID1802582 |
Neutrophil elastase | Homo sapiens (human) | Ki | 4.3652 | 0.0020 | 1.2866 | 9.5499 | AID67499 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1802582 | α-Chymotrypsin Inhibition Kinetic Assay from Article 10.1016/j.bioorg.2017.01.001: \\Synthesis, structure-activity relationships studies of benzoxazinone derivatives as a-chymotrypsin inhibitors.\\ | 2017 | Bioorganic chemistry, 02, Volume: 70 | Synthesis, structure-activity relationships studies of benzoxazinone derivatives as α-chymotrypsin inhibitors. |
AID1802581 | α-Chymotrypsin Inhibition Assay from Article 10.1016/j.bioorg.2017.01.001: \\Synthesis, structure-activity relationships studies of benzoxazinone derivatives as a-chymotrypsin inhibitors.\\ | 2017 | Bioorganic chemistry, 02, Volume: 70 | Synthesis, structure-activity relationships studies of benzoxazinone derivatives as α-chymotrypsin inhibitors. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID233342 | Alkaline hydrolysis rate of the compound | 1990 | Journal of medicinal chemistry, Feb, Volume: 33, Issue:2 | Design and synthesis of 4H-3,1-benzoxazin-4-ones as potent alternate substrate inhibitors of human leukocyte elastase. |
AID67499 | Inhibition of human leukocyte elastase | 1990 | Journal of medicinal chemistry, Feb, Volume: 33, Issue:2 | Design and synthesis of 4H-3,1-benzoxazin-4-ones as potent alternate substrate inhibitors of human leukocyte elastase. |
[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 | 1 (14.29) | 18.2507 |
2000's | 1 (14.29) | 29.6817 |
2010's | 4 (57.14) | 24.3611 |
2020's | 1 (14.29) | 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 (12.70) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |