1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone, often shortened to **CPTA**, is a chemical compound with potential applications in various research areas. Here's a breakdown:
**What it is:**
* **Structure:** CPTA is a heterocyclic compound containing a triazole ring (a five-membered ring with three nitrogen atoms) substituted with a 4-chlorophenyl group, a methylthio group, and a butanone group.
* **Appearance:** It's typically a white or yellowish solid.
* **Solubility:** It's likely soluble in organic solvents like methanol, ethanol, and chloroform.
**Why it's important for research:**
CPTA has been investigated for its potential in:
* **Pesticide and Herbicide Development:** The presence of the triazole ring is common in fungicides and herbicides, and CPTA's structural features suggest it might possess bioactivity against pests and weeds. Further research is needed to confirm this.
* **Pharmaceutical Applications:** The triazole ring and other functional groups present in CPTA are frequently found in pharmaceuticals. Its potential for therapeutic activities, like antimicrobial or anti-inflammatory properties, remains to be explored.
* **Materials Science:** The structure of CPTA could potentially lead to applications in materials science. For example, it might serve as a building block for new polymers or as a component in organic electronic devices.
**Important Note:** While CPTA shows promise, it's crucial to remember that this compound is still in the early stages of research. Its actual properties, applications, and safety need to be thoroughly investigated before any practical use.
**To further research CPTA:**
* **Chemical Databases:** Search for 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone or CPTA in databases like PubChem or SciFinder.
* **Scientific Literature:** Search for research articles on CPTA through Google Scholar or PubMed.
Remember that this information is provided for general knowledge and should not be used as a substitute for professional scientific or medical advice.
ID Source | ID |
---|---|
PubMed CID | 828529 |
CHEMBL ID | 1525769 |
CHEBI ID | 105237 |
Synonym |
---|
1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]butan-1-one |
AE-848/42278370 |
1-butyryl-3-(4-chlorophenyl)-5-(methylsulfanyl)-1h-1,2,4-triazole |
1-butyryl-3-(4-chlorophenyl)-5-(methylthio)-1h-1,2,4-triazole |
MLS000049028 , |
smr000074277 |
CHEBI:105237 |
1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone |
cid_828529 |
bdbm33584 |
1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]butan-1-one |
CHEMBL1525769 |
Q27182946 |
VU0048196-1 |
Class | Description |
---|---|
triazoles | An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. |
[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, HADH2 protein | Homo sapiens (human) | Potency | 12.5893 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 12.5893 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 56.2341 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 39.8107 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 16.9441 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 13.7882 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 28.1838 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 56.2341 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
P53 | Homo sapiens (human) | Potency | 22.3872 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 79.4328 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 31.6228 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 7.0795 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 7.0795 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 50.1187 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[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) |
---|---|---|---|---|---|---|---|
prothrombin | Homo sapiens (human) | IC50 (µMol) | 3.5704 | 0.0010 | 3.3170 | 14.6895 | AID1215 |
[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 |
---|---|---|---|---|
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. |
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 | |||
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. |
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. |
[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] |
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] |