Page last updated: 2024-12-10

2-(2-amino-4H-[1,3,5]triazino[2,1-b][1,3]benzoxazol-4-yl)propanedioic acid diethyl ester

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

The compound **2-(2-amino-4H-[1,3,5]triazino[2,1-b][1,3]benzoxazol-4-yl)propanedioic acid diethyl ester** is a complex organic molecule with a rather unusual structure. While its exact importance in research is hard to pinpoint without further context, here's what we can glean from its structure and some potential areas of interest:

**Understanding the Structure:**

* **[1,3,5]triazino[2,1-b][1,3]benzoxazol:** This part indicates a fused ring system containing a triazine (6-membered ring with 3 nitrogen atoms) and a benzoxazole (fused benzene and oxazole ring). This combination suggests potential for:
* **Biological Activity:** Heterocyclic rings are common in pharmaceuticals, often interacting with biological targets.
* **Photophysical Properties:** The fused ring system could lead to fluorescence or other interesting optical properties.

* **2-amino:** The amino group attached to the triazine ring introduces a potential for:
* **Chemical Reactivity:** The amino group can participate in various reactions, potentially leading to functionalization or modification of the molecule.

* **Propanedioic acid diethyl ester:** This part signifies a diethyl ester of malonic acid. This aspect could be important for:
* **Pharmacological Applications:** Esters can improve drug bioavailability and alter pharmacokinetic properties.
* **Synthesis:** The ester groups can be used in various chemical reactions to introduce other functionalities.

**Potential Research Importance:**

Based on its structure, this compound could be of interest in several research areas:

* **Drug Discovery:** As a potential bioactive compound, it might be investigated for its ability to interact with biological targets, potentially leading to therapeutic applications.
* **Materials Science:** Its unique structure and potential photophysical properties could make it a candidate for advanced materials, like organic light-emitting diodes (OLEDs) or sensors.
* **Organic Synthesis:** The molecule might serve as a starting point for synthesizing new derivatives with diverse applications.

**To get a more definitive answer about its importance, you would need to know:**

* **The specific research project or area of study:** What is the compound being used for?
* **The research group or institution:** Who is researching this compound?
* **The specific publications or patents:** Any published information would provide valuable insights into its significance.

**In conclusion, while the exact importance of 2-(2-amino-4H-[1,3,5]triazino[2,1-b][1,3]benzoxazol-4-yl)propanedioic acid diethyl ester remains unknown without further context, its structural features suggest potential applications in drug discovery, materials science, and organic synthesis.**

Cross-References

ID SourceID
PubMed CID2999558
CHEMBL ID1444429
CHEBI ID114975

Synonyms (17)

Synonym
smr000060866
MLS000054506
diethyl (2-amino-4h-[1,3,5]triazino[2,1-b][1,3]benzoxazol-4-yl)propanedioate
STK092142
CHEBI:114975
MLS002637174
AKOS001032960
diethyl 2-(2-amino-4h-[1,3,5]triazino[2,1-b][1,3]benzoxazol-4-yl)propanedioate
HMS2489B09
CCG-18845
AKOS016877680
CHEMBL1444429
Q27196819
2-(2-amino-4h-[1,3,5]triazino[2,1-b][1,3]benzoxazol-4-yl)propanedioic acid diethyl ester
sr-01000470558
SR-01000470558-1
Z56801460
[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-benzoxazolesCompounds based on a fused 1,3-oxazole and benzene bicyclic ring skeleton.
[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 (19)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, HADH2 proteinHomo sapiens (human)Potency18.96620.025120.237639.8107AID886; AID893
Chain B, HADH2 proteinHomo sapiens (human)Potency18.96620.025120.237639.8107AID886; AID893
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency35.48130.177814.390939.8107AID2147
acid sphingomyelinaseHomo sapiens (human)Potency25.118914.125424.061339.8107AID504937
glp-1 receptor, partialHomo sapiens (human)Potency10.00000.01846.806014.1254AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency42.23950.100020.879379.4328AID588453; AID588456
BRCA1Homo sapiens (human)Potency12.58930.89137.722525.1189AID624202
ClpPBacillus subtilisPotency25.11891.995322.673039.8107AID651965
ATAD5 protein, partialHomo sapiens (human)Potency15.67580.004110.890331.5287AID504466; AID504467
Smad3Homo sapiens (human)Potency35.48130.00527.809829.0929AID588855
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
IDH1Homo sapiens (human)Potency10.00000.005210.865235.4813AID686970
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency0.15850.036619.637650.1187AID2112
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency2.81840.01262.451825.0177AID485313
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency28.18380.001815.663839.8107AID894
huntingtin isoform 2Homo sapiens (human)Potency3.16230.000618.41981,122.0200AID1688
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency23.93410.425612.059128.1838AID504891
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency15.71430.00798.23321,122.0200AID2546; AID2551
survival motor neuron protein isoform dHomo sapiens (human)Potency19.95260.125912.234435.4813AID1458
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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