Page last updated: 2024-12-09

1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone

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

1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone is a complex organic molecule with a unique structure. Let's break down its name and potential significance:

**Understanding the Name:**

* **1-(2-pyridin-4-yl...):** This part tells us the molecule has a pyridin-4-yl group (a pyridine ring with a substituent at the 4th position) attached at the 1st position of another ring system.
* **...1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl):** This describes a spirocyclic ring system, where two rings share a single atom.
* **1-oxa:** Indicates an oxygen atom in the ring system.
* **3,4-diaza:** Indicates two nitrogen atoms at the 3rd and 4th positions.
* **spiro[4.6]undec:** Means the ring system is an undecane (11-membered ring) with a spiro junction connecting a 4-membered ring and a 6-membered ring.
* **-2-en:** Indicates a double bond at the 2nd position.
* **-4-yl:** Indicates that this ring system is attached to another group at the 4th position.
* **ethanone:** This part signifies a ketone group (C=O) attached to an ethyl group (CH3CH2-).

**Potential Importance for Research:**

Without knowing the specific context, it's difficult to say definitively why this molecule is important for research. However, its unique structure suggests potential applications in several fields:

* **Medicinal Chemistry:** Spirocyclic systems are often found in pharmaceuticals. This molecule's combination of nitrogen, oxygen, and a pyridine ring could potentially lead to bioactive compounds with various pharmacological activities.
* **Materials Science:** The rigid structure and presence of heteroatoms might allow for the design of new materials with specific properties, such as conductivity or fluorescence.
* **Organic Synthesis:** This molecule could serve as a useful intermediate in the synthesis of other complex compounds, expanding the toolbox of organic chemistry.

**To understand the true significance of this molecule, you would need more information:**

* **What is its specific biological activity?**
* **What research is being done with it?**
* **What are its properties (solubility, stability, etc.)?**

This kind of information is essential to understand the molecule's role in scientific research.

Cross-References

ID SourceID
PubMed CID600088
CHEMBL ID1484505
CHEBI ID116135

Synonyms (21)

Synonym
smr000116781
MLS000526307
OPREA1_207712
OPREA1_212295
EU-0043379
1-(3-pyridin-4-yl-4-oxa-1,2-diaza-spiro[4.6]undec-2-en-1-yl)-ethanone
STK008211
1-[3-(pyridin-4-yl)-4-oxa-1,2-diazaspiro[4.6]undec-2-en-1-yl]ethanone
CHEBI:116135
AKOS000640768
HMS2482I21
1-acetyl-3-(4-pyridyl)-4-oxa-1,2-diazaspiro[4.6]undec-2-ene
CHEMBL1484505
DACIUTKLQUZGRE-UHFFFAOYSA-N
1-acetyl-3-(4-pyridinyl)-4-oxa-1,2-diazaspiro[4.6]undec-2-ene #
1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone
Q27198839
sr-01000479818
SR-01000479818-1
Z56857937
1-[3-(4-pyridyl)-4-oxa-1,2-diazaspiro[4.6]undec-2-en-1-yl]-1-ethanone
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
pyridinesAny organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.
[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 (5)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency28.18380.177814.390939.8107AID2147
thioredoxin reductaseRattus norvegicus (Norway rat)Potency27.00500.100020.879379.4328AID588453; AID588456
ClpPBacillus subtilisPotency3.16231.995322.673039.8107AID651965
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency28.18380.011212.4002100.0000AID1030
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency31.62280.001815.663839.8107AID894
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[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's4 (57.14)24.3611
2020's2 (28.57)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.22

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 Index12.22 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.30 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.22)

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]