You're asking about **1-[[1-oxo-2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]-3-phenylthiourea**. This is a complex organic compound, and while it's not a household name, it holds potential significance in research. Here's a breakdown of its structure and why it might be interesting:
**Structure:**
* The compound contains several key functional groups:
* **Thiourea:** This is a central part of the molecule, known for its ability to form hydrogen bonds and interact with biological molecules.
* **Thiadiazole:** A heterocyclic ring system with sulfur and nitrogen atoms, common in various bioactive compounds.
* **Thioether:** A sulfur atom linked to a carbon atom, often associated with pharmacological activity.
* **Ketone:** A carbonyl group (C=O), frequently found in molecules that interact with enzymes.
**Potential Research Significance:**
While I don't have specific research on this exact compound, its structure suggests potential applications in several areas:
* **Antimicrobial Activity:** The presence of the thiadiazole ring, thioether, and thiourea groups are frequently associated with antimicrobial activity. These groups can potentially interfere with bacterial growth and development.
* **Anti-inflammatory Activity:** The combination of sulfur-containing groups and the thiourea unit may contribute to anti-inflammatory effects.
* **Antioxidant Activity:** Thioureas and thiadiazoles are known to have antioxidant properties. This compound could potentially scavenge free radicals and protect cells from oxidative damage.
* **Drug Delivery Systems:** Its complex structure might allow for the development of targeted drug delivery systems where the compound acts as a carrier molecule.
**To find out more:**
* **Scientific Databases:** Check databases like PubChem, SciFinder, and Reaxys to see if there are any publications or patents related to this specific compound.
* **Chemical Structure Search:** You can use the name or the chemical structure of the compound to perform a search on these databases.
* **Contact Research Laboratories:** Reach out to research groups specializing in medicinal chemistry, organic synthesis, or drug discovery. They might have expertise or ongoing research on similar compounds.
**Important Note:** It's crucial to remember that just because a compound has a complex structure and potential biological activity, it doesn't mean it's safe or effective for human use. Research is necessary to determine the actual biological activity, safety, and potential applications of this compound.
ID Source | ID |
---|---|
PubMed CID | 1580316 |
CHEMBL ID | 1360190 |
CHEBI ID | 115470 |
Synonym |
---|
MLS000594926 , |
smr000218186 |
CHEBI:115470 |
STL045587 |
2-({[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)-n-phenylhydrazinecarbothioamide |
1-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-phenylthiourea |
HMS2562K20 |
AKOS005699190 |
1-phenyl-3-[2-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]thiourea |
1-[[2-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-3-phenyl-thiourea |
bdbm96436 |
cid_1580316 |
1-[[1-oxo-2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]-3-phenylthiourea |
CHEMBL1360190 |
Q27197322 |
Class | Description |
---|---|
aryl sulfide | Any organic sulfide in which the sulfur is attached to at least one aromatic group. |
[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) |
---|---|---|---|---|---|---|---|
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 26.8545 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
acid sphingomyelinase | Homo sapiens (human) | Potency | 199.5260 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
GLS protein | Homo sapiens (human) | Potency | 14.1254 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 3.1623 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 2.2387 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 10.0000 | 0.0018 | 15.6638 | 39.8107 | AID894 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 11.2202 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 33.5875 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 44.6684 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 13.3573 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 39.8107 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 17.7828 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 8.9125 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
intracellular non-membrane-bounded organelle | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleus | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
perichromatin fibrils | TAR DNA-binding protein 43 | Homo sapiens (human) |
mitochondrion | TAR DNA-binding protein 43 | Homo sapiens (human) |
cytoplasmic stress granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nuclear speck | TAR DNA-binding protein 43 | Homo sapiens (human) |
interchromatin granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
chromatin | TAR DNA-binding protein 43 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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] |