Page last updated: 2024-12-10

1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester

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 rather complex chemical compound with a long and detailed name! Let's break it down:

**1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester**

This name describes a molecule with multiple parts:

* **Ethyl ester:** This refers to a functional group (-COOC2H5) attached to the molecule. Esters are commonly found in pharmaceuticals and fragrances.
* **Piperidine:** This is a 6-membered ring containing nitrogen, a common structural motif in organic chemistry.
* **Cyclobutenyl:** This is a 4-membered ring with a double bond, another common structure in organic molecules.
* **Benzodioxin:** This is a fused ring system containing benzene and dioxane, often found in compounds with biological activity.
* **Amino:** This signifies a nitrogen-containing group (-NH2) attached to the molecule.

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

Unfortunately, without further context, it's impossible to say definitively why this specific compound is important for research. However, given its complex structure and the presence of various functional groups, it's likely to have some potential biological activity. Here's why:

* **Potential Drug Candidate:** This compound might possess properties that make it useful as a drug for treating specific conditions. Its complex structure allows for various potential interactions with biological targets.
* **Chemical Probe:** Researchers could use this compound to investigate the function of specific proteins or enzymes in biological systems.
* **Material Science:** The compound's properties might be relevant to the development of new materials, like polymers or catalysts.

**To understand the importance of this compound, you need more information:**

* **Who is researching it?** Knowing the lab or research group involved can give clues to their research focus.
* **What are the research goals?** Understanding the purpose of the research will help understand why this specific compound is important.
* **What are the compound's properties?** Knowing the compound's physical and chemical properties (e.g., solubility, reactivity) can shed light on its potential uses.

**Finding More Information**

To learn more about this compound, try searching online databases like:

* **PubChem:** A large database of chemical compounds and their properties.
* **SciFinder:** A comprehensive scientific literature and chemical database (requires subscription).

Remember, specific research information is often not publicly available until it's published in scientific journals or through other official channels.

Cross-References

ID SourceID
PubMed CID5307508
CHEMBL ID1332868
CHEBI ID107681

Synonyms (13)

Synonym
MLS000118656
smr000095597
MLS000878554
CHEBI:107681
AKOS001832380
ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3,4-dioxocyclobuten-1-yl]piperidine-4-carboxylate
CCG-135022
HMS2251O16
CHEMBL1332868
Q27186006
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester
SR-01000151897-1
sr-01000151897
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzodioxineAny organic heterobicyclic compound containing ortho-fused benzene and dioxine rings.
[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 (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency21.33130.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency10.00000.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency19.47630.004110.890331.5287AID504466; AID504467
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency28.18380.011212.4002100.0000AID1030
thyroid stimulating hormone receptorHomo sapiens (human)Potency31.62280.001318.074339.8107AID926
P53Homo sapiens (human)Potency7.94330.07319.685831.6228AID504706
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency79.43280.035520.977089.1251AID504332
lethal factor (plasmid)Bacillus anthracis str. A2012Potency10.00000.020010.786931.6228AID912
Guanine nucleotide-binding protein GHomo sapiens (human)Potency1.99531.995325.532750.1187AID624287
[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 (13)

Assay IDTitleYearJournalArticle
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary 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.
[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]