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.
ID Source | ID |
---|---|
PubMed CID | 600088 |
CHEMBL ID | 1484505 |
CHEBI ID | 116135 |
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 |
Class | Description |
---|---|
pyridines | Any 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 28.1838 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 27.0050 | 0.1000 | 20.8793 | 79.4328 | AID588453; AID588456 |
ClpP | Bacillus subtilis | Potency | 3.1623 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 0.0018 | 15.6638 | 39.8107 | AID894 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
AID1794808 | Fluorescence-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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (14.29) | 29.6817 |
2010's | 4 (57.14) | 24.3611 |
2020's | 2 (28.57) | 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 (12.22) 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] |