Page last updated: 2024-12-09

1,3-dimethyl-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth

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.

Cross-References

ID SourceID
PubMed CID2266300
CHEMBL ID1526270
CHEBI ID105222

Synonyms (16)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aryl sulfideAny 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 Targets (15)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency7.56860.007215.758889.3584AID588342
thioredoxin reductaseRattus norvegicus (Norway rat)Potency10.00000.100020.879379.4328AID588453
WRNHomo sapiens (human)Potency39.81070.168331.2583100.0000AID651768
GLS proteinHomo sapiens (human)Potency4.46680.35487.935539.8107AID624170
TDP1 proteinHomo sapiens (human)Potency21.14460.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency7.94330.180013.557439.8107AID1460
thioredoxin glutathione reductaseSchistosoma mansoniPotency39.81070.100022.9075100.0000AID485364
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency7.94330.011212.4002100.0000AID1030
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency8.91250.035520.977089.1251AID504332
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency79.43280.354828.065989.1251AID504847
transcriptional regulator ERG isoform 3Homo sapiens (human)Potency17.78280.794321.275750.1187AID624246
DNA polymerase betaHomo sapiens (human)Potency39.81070.022421.010289.1251AID485314
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency0.37690.168316.404067.0158AID720504
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency35.48130.00798.23321,122.0200AID2551
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]