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2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(5-methyl-2-furanyl)methyl]-N-(3-pyridinylmethyl)acetamide

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

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.

Cross-References

ID SourceID
PubMed CID645989
CHEMBL ID1506369
CHEBI ID115471

Synonyms (15)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
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 Targets (21)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency20.81140.044717.8581100.0000AID485294; AID485341
Chain A, CruzipainTrypanosoma cruziPotency39.81070.002014.677939.8107AID1476
thioredoxin reductaseRattus norvegicus (Norway rat)Potency56.23410.100020.879379.4328AID588453
TDP1 proteinHomo sapiens (human)Potency23.72460.000811.382244.6684AID686978; AID686979
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency3.16230.011212.4002100.0000AID1030
thyroid stimulating hormone receptorHomo sapiens (human)Potency10.00000.001318.074339.8107AID926; AID938
regulator of G-protein signaling 4Homo sapiens (human)Potency17.78280.531815.435837.6858AID504845
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency4.46680.035520.977089.1251AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency28.18380.001815.663839.8107AID894
huntingtin isoform 2Homo sapiens (human)Potency25.11890.000618.41981,122.0200AID1688
pyruvate kinase PKM isoform aHomo sapiens (human)Potency1.00000.04017.459031.6228AID1631; AID1634
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency21.19230.168316.404067.0158AID720504
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency60.11980.425612.059128.1838AID504891
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency15.95410.00798.23321,122.0200AID2546; AID2551
neuropeptide S receptor isoform AHomo sapiens (human)Potency6.30960.015812.3113615.5000AID1461
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Mcl-1Homo sapiens (human)IC50 (µMol)54.00000.40007.134454.0000AID1418
Muscarinic acetylcholine receptor M1Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.773925.1700AID1418
Muscarinic acetylcholine receptor M3Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.891925.1700AID1418
Muscarinic acetylcholine receptor M4Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.747825.1700AID1418
Muscarinic acetylcholine receptor M5Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.780225.1700AID1418
Muscarinic acetylcholine receptor M2Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00053.314249.5000AID1418
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, 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]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]