You're asking about a specific chemical compound: **2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(5-methyl-2-furanyl)methyl]-N-(3-pyridinylmethyl)acetamide**. This is a complex organic molecule with a long and detailed chemical structure. It's not a common household name, and its importance likely lies in the realm of scientific research.
To understand its potential significance, we need to break down its structure and consider its potential applications:
**Structure Breakdown:**
* **Benzoxazin-4-yl:** The core of the molecule contains a benzoxazine ring system, which is a heterocyclic ring containing both benzene and oxazine rings.
* **Substitutions:** The benzoxazine ring has several substituents:
* **2-ethyl:** An ethyl group (CH3CH2-) attached at the 2nd position.
* **6-methyl:** A methyl group (CH3-) attached at the 6th position.
* **3-oxo:** An oxo group (C=O) at the 3rd position, indicating a ketone.
* **Acetamide:** The molecule is connected to an acetamide group (-CO-NH-) which forms the backbone of the compound.
* **N-[(5-methyl-2-furanyl)methyl] & N-(3-pyridinylmethyl):** These parts represent two nitrogen-containing groups, each linked to the acetamide.
* **(5-methyl-2-furanyl)methyl:** A furanyl group (a five-membered ring containing oxygen) with a methyl group attached, all connected to a methylene group (-CH2-) attached to the nitrogen.
* **(3-pyridinylmethyl):** A pyridinyl group (a six-membered ring containing nitrogen) with a methylene group attached to the nitrogen.
**Potential Applications:**
Given its complex structure and multiple functional groups, this compound could potentially be explored for a variety of research purposes, including:
* **Pharmaceutical Research:** The presence of heterocyclic rings and various functional groups suggests the molecule might exhibit biological activity. Researchers could investigate its potential as a drug candidate for treating various diseases.
* **Materials Science:** The compound could have applications in developing new materials with specific properties. Its complex structure might contribute to unique optical, electrical, or mechanical properties.
* **Agricultural Chemistry:** The molecule could be investigated as a potential pesticide or herbicide due to its structure and potential for biological interactions.
**Importance in Research:**
The importance of this specific compound depends heavily on its properties and the specific research context. It's crucial to look for published research papers or databases that might provide insights into its specific applications and significance.
**To learn more about this compound, you should:**
1. **Search scientific databases:** Explore databases like PubMed, Scopus, or Web of Science using the full chemical name or relevant keywords.
2. **Look for publications:** See if there are any research articles or patents related to this compound.
3. **Consult with specialists:** Contact chemists or researchers working in the field of pharmaceutical chemistry, materials science, or agricultural chemistry for more specific information.
Remember, without specific research findings or context, it's impossible to definitively state why this particular compound is important.
ID Source | ID |
---|---|
PubMed CID | 645989 |
CHEMBL ID | 1506369 |
CHEBI ID | 115471 |
Synonym |
---|
2-(2-ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-n-(5-methyl-furan-2-ylmethyl)-n-pyridin-3-ylmethyl-acetamide |
MLS000074493 , |
MLS000881245 |
smr000007349 |
CHEBI:115471 |
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-n-[(5-methylfuran-2-yl)methyl]-n-(pyridin-3-ylmethyl)acetamide |
AKOS000757551 |
NCGC00030259-02 |
HMS2455P22 |
CHEMBL1506369 |
Q27197324 |
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-n-[(5-methyl-2-furanyl)methyl]-n-(3-pyridinylmethyl)acetamide |
AKOS030481542 |
sr-01000330083 |
SR-01000330083-1 |
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) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 20.8114 | 0.0447 | 17.8581 | 100.0000 | AID485294; AID485341 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 39.8107 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 56.2341 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
TDP1 protein | Homo sapiens (human) | Potency | 23.7246 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 3.1623 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 10.0000 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 17.7828 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 4.4668 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 28.1838 | 0.0018 | 15.6638 | 39.8107 | AID894 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 25.1189 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 1.0000 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 21.1923 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 60.1198 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 15.9541 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 6.3096 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
[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) |
---|---|---|---|---|---|---|---|
Mcl-1 | Homo sapiens (human) | IC50 (µMol) | 54.0000 | 0.4000 | 7.1344 | 54.0000 | AID1418 |
Muscarinic acetylcholine receptor M1 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 2.7739 | 25.1700 | AID1418 |
Muscarinic acetylcholine receptor M3 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 2.8919 | 25.1700 | AID1418 |
Muscarinic acetylcholine receptor M4 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 2.7478 | 25.1700 | AID1418 |
Muscarinic acetylcholine receptor M5 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 2.7802 | 25.1700 | AID1418 |
Muscarinic acetylcholine receptor M2 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 54.0000 | 0.0005 | 3.3142 | 49.5000 | AID1418 |
[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. |
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 | |||
AID1745845 | 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. |
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] |