You're describing a chemical compound with a rather complex name and structure. Let's break down what it is and why it might be important for research:
**Structure:**
* **1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-4-triazolecarboxylic acid methyl ester** is a synthetic molecule with several key components:
* **1,2,5-oxadiazole:** This is a five-membered ring containing one oxygen and two nitrogen atoms.
* **4-amino:** This indicates an amino group (NH2) attached to the fourth carbon atom of the oxadiazole ring.
* **triazolecarboxylic acid methyl ester:** This describes a triazole ring with a carboxyl group (COOH) and a methyl ester (COOCH3) attached.
* **(1,3-benzothiazol-2-ylthio)methyl:** This is a side chain with a benzothiazole ring (fused benzene and thiazole rings) connected to a sulfur atom, then to a methyl group.
**Potential Importance for Research:**
Based on its structure, this compound likely has properties that make it interesting for research in various fields, including:
* **Pharmaceutical Research:**
* **Antimicrobial Activity:** The presence of the benzothiazole and oxadiazole rings is known to be associated with antimicrobial activity. This compound could potentially be explored for its ability to fight bacterial or fungal infections.
* **Anti-inflammatory Activity:** Some triazole derivatives have demonstrated anti-inflammatory properties. This compound might be investigated for its potential to reduce inflammation.
* **Other Biological Targets:** The compound's unique structure suggests it could interact with various biological targets and could be further investigated for its potential as a drug candidate for other therapeutic areas.
* **Materials Science:**
* **Organic Electronics:** Compounds with heterocyclic systems like triazole and benzothiazole often exhibit interesting electronic properties. This compound could potentially be used in the development of organic electronic materials like organic light-emitting diodes (OLEDs).
* **Sensors:** The presence of the sulfur atom and the benzothiazole ring suggests potential for this compound to be used in the development of sensors for specific analytes.
**Important Considerations:**
* **Synthesis and Characterization:** To understand the compound's properties and potential uses, it needs to be synthesized in the laboratory and characterized thoroughly. This involves techniques like nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry.
* **Biological Testing:** If exploring the compound's potential for pharmaceutical applications, biological testing is crucial. This includes in vitro studies (cell cultures) and, eventually, in vivo studies (animal models) to assess efficacy, safety, and pharmacokinetic properties.
* **Patenting:** If the compound shows promising results, patenting it can be a crucial step in protecting intellectual property and enabling further development and commercialization.
**In conclusion:** The compound you described is likely a candidate for further research in pharmaceutical and materials science fields. Its structure suggests potential for a range of applications, but further investigation through synthesis, characterization, and biological testing is essential to determine its actual properties and potential benefits.
ID Source | ID |
---|---|
PubMed CID | 1713063 |
CHEMBL ID | 1310209 |
CHEBI ID | 121594 |
Synonym |
---|
AG-205/37106185 |
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1h-1,2,3-triazole-4-carboxylate |
smr000082076 |
MLS000052569 , |
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-1h-1,2,3-triazole-4-carboxylate |
CHEMDIV1_011371 |
CHEBI:121594 |
BRD-K24023169-001-05-5 |
HMS619E19 |
AKOS001704038 |
MLS002548481 |
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)triazole-4-carboxylate |
STK757619 |
CHEMBL1310209 |
HMS2273H18 |
bdbm68549 |
methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate |
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-4-triazolecarboxylic acid methyl ester |
1-(4-aminofurazan-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]triazole-4-carboxylic acid methyl ester |
cid_1713063 |
Q27210154 |
sr-01000519123 |
SR-01000519123-1 |
Class | Description |
---|---|
benzothiazoles | |
[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) |
---|---|---|---|---|---|---|---|
ClpP | Bacillus subtilis | Potency | 2.5119 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
TDP1 protein | Homo sapiens (human) | Potency | 21.8369 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 31.6228 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
alpha-galactosidase | Homo sapiens (human) | Potency | 11.2202 | 4.4668 | 18.3916 | 35.4813 | AID1467 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 100.0000 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
DNA polymerase beta | Homo sapiens (human) | Potency | 100.0000 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 22.3872 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 28.1838 | 1.9953 | 25.5327 | 50.1187 | AID624288 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 20.8955 | 1.0000 | 10.4756 | 28.1838 | AID1457; AID901 |
[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) | 300.0000 | 0.2125 | 22.1562 | 83.9400 | AID434954 |
[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) | AC50 | 1.3100 | 0.0113 | 0.6756 | 2.8000 | AID588429 |
glycogen synthase kinase-3 alpha | Homo sapiens (human) | AC50 | 4.2400 | 0.0135 | 29.7434 | 171.7000 | AID588434 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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] |