The chemical name you provided, **1,3-dimethyl-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione**, describes a complex organic molecule. While it's unlikely to have a common name, let's break down its structure and potential significance:
**Structure:**
* **1,3-diazinane-2,4,6-trione:** This is the core structure, a six-membered ring containing three carbonyl groups (C=O). This part resembles a barbituric acid derivative.
* **1,3-dimethyl:** Two methyl groups (CH3) are attached to the 1st and 3rd positions of the ring, likely altering its properties and reactivity.
* **5-[[5-(phenylthio)-2-furanyl]methylidene]:** A more complex substituent attached to the 5th position of the ring. This includes:
* **2-furanyl:** A furan ring (a five-membered ring with an oxygen atom) attached to the ring through a methylene bridge (CH2).
* **5-(phenylthio):** A phenylthio group (C6H5-S-) attached to the 5th position of the furan ring. This indicates a sulfur atom connected to a phenyl ring (benzene).
**Potential Importance in Research:**
Based on its structure, this molecule could be interesting for several research areas:
* **Pharmacology:** The combination of a barbituric acid derivative with a furan and phenylthio group could lead to a compound with potential biological activity. This could be relevant for areas like:
* **Anticonvulsant activity:** Barbituric acid derivatives are known for their central nervous system effects.
* **Anti-inflammatory activity:** Sulfur-containing compounds often exhibit anti-inflammatory properties.
* **Antimicrobial activity:** Furan derivatives can have antimicrobial properties.
* **Material Science:** The presence of the aromatic rings (furan and phenyl) suggests potential applications in materials like:
* **Organic semiconductors:** Aromatic compounds are often used in organic electronics.
* **Polymers:** The structure could be incorporated into polymers for specific properties.
* **Synthesis and Chemistry:** The complex structure presents a challenge for organic synthesis and could lead to new synthetic methods or insights into the reactivity of these functional groups.
**Important Note:** Without specific research or context, it's impossible to say definitively why this particular molecule would be important. It's crucial to look for specific publications, patents, or research projects involving this exact compound to understand its significance.
**To find out more about this molecule, you can:**
* **Search online databases:** Use databases like PubChem, SciFinder, or Google Scholar with the full chemical name or a simplified name (e.g., 1,3-dimethyl-5-furanyl-barbituric acid derivative).
* **Look for patents:** Search patent databases for patents mentioning the compound or its structure.
* **Contact researchers:** Contact research groups working in the fields mentioned above (pharmacology, material science, organic chemistry) and ask if they are familiar with the compound or its potential applications.
ID Source | ID |
---|---|
PubMed CID | 2266300 |
CHEMBL ID | 1526270 |
CHEBI ID | 105222 |
Synonym |
---|
AKOS002343024 |
HMS2622A14 |
MLS000684297 |
smr000268102 |
1,3-dimethyl-5-{[5-(phenylthio)-2-furyl]methylene}-2,4,6(1h,3h,5h)-pyrimidinetrione |
CHEBI:105222 |
1,3-dimethyl-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione |
STL363660 |
1,3-dimethyl-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1h,3h,5h)-trione |
QGBHZVPOCRMPSM-UHFFFAOYSA-N |
2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dimethyl-5-[[5-(phenylthio)-2-furanyl]methylene]- |
CHEMBL1526270 |
Q27182929 |
1,3-dimethyl-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione |
sr-01000226606 |
SR-01000226606-1 |
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 | 7.5686 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 10.0000 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
WRN | Homo sapiens (human) | Potency | 39.8107 | 0.1683 | 31.2583 | 100.0000 | AID651768 |
GLS protein | Homo sapiens (human) | Potency | 4.4668 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
TDP1 protein | Homo sapiens (human) | Potency | 21.1446 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 7.9433 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 39.8107 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 7.9433 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 8.9125 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 79.4328 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
transcriptional regulator ERG isoform 3 | Homo sapiens (human) | Potency | 17.7828 | 0.7943 | 21.2757 | 50.1187 | AID624246 |
DNA polymerase beta | Homo sapiens (human) | Potency | 39.8107 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 0.3769 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID651635 | Viability Counterscreen for 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. |
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. |
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. |
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 | |||
[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] |