You're asking about **1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester**. This is a complex organic molecule, and I'll break down its structure and potential significance in research:
**Structure:**
* **Core:** The molecule is built around a triazole ring (a 5-membered ring containing 3 nitrogens).
* **Substitutions:**
* **1-Position:** A 4-amino-1,2,5-oxadiazole-3-yl group is attached. This is another heterocyclic ring containing nitrogen and oxygen.
* **5-Position:** A phenoxymethyl group is attached. This is a benzene ring with an oxygen and a methylene (CH2) group.
* **4-Position:** A carboxylic acid group is attached, with an ethyl ester (C2H5O) replacing the acidic hydrogen.
**Potential Importance in Research:**
This specific molecule is not widely documented, but its structural features suggest it could be relevant in various research areas:
* **Pharmaceuticals:** The combination of heterocyclic rings with potential for hydrogen bonding and the carboxylic acid/ester functionality are common features in drug molecules. This compound could be investigated for biological activity, potentially as an antibacterial, antifungal, or anti-cancer agent.
* **Agricultural Chemicals:** The structure shares similarities with some herbicides and fungicides. It could be investigated for its potential to inhibit plant growth or protect crops from diseases.
* **Materials Science:** The combination of aromatic rings (benzene and triazole) and the potential for hydrogen bonding could lead to interesting properties. This molecule might be explored for its potential in polymer synthesis or as a building block for novel materials.
* **Chemical Synthesis:** The molecule itself might be a valuable intermediate in organic synthesis. Its structure allows for further functionalization and modification, opening up possibilities for creating new molecules with unique properties.
**Important Note:** Without specific information on the molecule's synthesis, biological activity, or intended use, it's impossible to say definitively why it's important for research.
**To learn more, you would need to:**
* **Search for scientific publications:** Look for research papers, patents, or databases that specifically mention this molecule.
* **Contact researchers:** Reach out to academic or industrial labs specializing in medicinal chemistry, agricultural chemistry, or materials science. They might have ongoing research projects related to this type of molecule.
Remember, researching a molecule is a complex process requiring detailed information and expert knowledge.
ID Source | ID |
---|---|
PubMed CID | 691702 |
CHEMBL ID | 1385555 |
CHEBI ID | 111389 |
Synonym |
---|
OPREA1_662697 |
MLS000113237 , |
smr000109141 |
CHEBI:111389 |
BRD-K36834752-001-04-7 |
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)triazole-4-carboxylate |
AKOS000549053 |
STK754680 |
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1h-1,2,3-triazole-4-carboxylate |
HMS2184A13 |
RNABOYGBCYHTDS-UHFFFAOYSA-N |
1-(4-amino-furazan-3-yl)-5-phenoxymethyl-1h-[1,2,3]triazole-4-carboxylic acid ethyl ester |
1-(4-aminofurazan-3-yl)-5-(phenoxymethyl)triazole-4-carboxylic acid ethyl ester |
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester |
cid_691702 |
ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1,2,3-triazole-4-carboxylate |
bdbm68661 |
CHEMBL1385555 |
Q27191102 |
SR-01000514735-1 |
sr-01000514735 |
339311-63-6 |
mfcd00826369 |
Class | Description |
---|---|
aromatic ether | Any ether in which the oxygen is attached to at least one aryl substituent. |
[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, Beta-lactamase | Escherichia coli K-12 | Potency | 0.6310 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 28.1838 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 12.5893 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 12.5893 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 50.1187 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 39.8107 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 3.9811 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 50.1187 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 50.1187 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
glycogen synthase kinase-3 beta isoform 1 | Homo sapiens (human) | EC50 (µMol) | 23.8100 | 0.2125 | 22.1562 | 83.9400 | AID434954 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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. |
[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 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |