Page last updated: 2024-12-10

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfinyl]ethanone

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

You've described a rather complex chemical compound with a long and somewhat intimidating name! Let's break it down:

**1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfinyl]ethanone**

* **1,4-dioxa-8-azaspiro[4.5]decan-8-yl**: This part indicates a specific ring structure. Spiro implies two rings are fused, with one atom shared by both. In this case, we have a 10-membered ring (decan) with two oxygen atoms (dioxa) and one nitrogen atom (aza) within the ring. The 8-yl indicates the nitrogen atom is where the rest of the molecule attaches.
* **2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfinyl]ethanone**: This part refers to a side chain attached to the ring system. It includes:
* **Ethanone**: This is a ketone group (C=O).
* **Methylsulfinyl**: A sulfur atom with two bonds (one to a carbon and one to an oxygen atom).
* **Oxazolyl**: A 5-membered ring containing an oxygen and a nitrogen atom.
* **5-methyl-2-(2-methylphenyl)-4-oxazolyl**: This describes the substitution pattern on the oxazole ring. It has a methyl group at position 5, a 2-methylphenyl (a benzene ring with a methyl group) at position 2, and the methylsulfinyl group at position 4.

**Why is this compound important for research?**

Without more context, it's impossible to know for sure. However, given its structure, it likely has pharmacological properties. Here's why:

* **Complex Structure**: The compound has multiple rings and functional groups (ketone, sulfoxide, oxazole). These structural features are commonly associated with drug-like molecules.
* **Potential Targets**: The specific arrangement of these features could lead to interactions with biological targets like enzymes, receptors, or other proteins.
* **Pharmacological Properties**: The compound might exhibit activities like:
* **Anti-inflammatory**: Sulfoxides are often found in anti-inflammatory drugs.
* **Antibacterial**: Oxazoles are known for antibacterial activity.
* **Antiviral**: Some nitrogen-containing heterocycles (like the oxazole) have antiviral properties.

**To understand the specific research importance, you'd need more information:**

* **What research area is it associated with?** (e.g., medicine, agriculture, material science)
* **What are the specific properties of the compound?** (e.g., solubility, stability, activity against specific targets)
* **What is the goal of the research?** (e.g., developing a new drug, exploring the compound's mechanism of action)

To learn more about this specific compound, you'd likely need to consult research papers or databases where it is mentioned.

Cross-References

ID SourceID
PubMed CID3236698
CHEMBL ID1507282
CHEBI ID121464
SCHEMBL ID12008309

Synonyms (15)

Synonym
CHEMDIV3_009759
MLS000089391
smr000027766
8-[({[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
IDI1_027669
CHEBI:121464
AKOS001830983
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]ethanone
HMS1500L13
MLS002587338
HMS2398F16
CHEMBL1507282
SCHEMBL12008309
Q27210012
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfinyl]ethanone
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
1,3-oxazoles
[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 (10)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency28.18380.044717.8581100.0000AID485341
Chain A, CruzipainTrypanosoma cruziPotency39.81070.002014.677939.8107AID1476
thioredoxin reductaseRattus norvegicus (Norway rat)Potency12.58930.100020.879379.4328AID588453
ATAD5 protein, partialHomo sapiens (human)Potency29.09290.004110.890331.5287AID504467
thioredoxin glutathione reductaseSchistosoma mansoniPotency8.91250.100022.9075100.0000AID485364
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency1.12200.28189.721235.4813AID2326
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency79.43280.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency3.54810.035520.977089.1251AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency31.62280.001815.663839.8107AID894
Guanine nucleotide-binding protein GHomo sapiens (human)Potency12.58931.995325.532750.1187AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (15)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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 Index12.20 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.20)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]