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2-(4-chlorophenyl)-6-(methylthio)-4-oxo-2,3-dihydro-1,3-thiazine-5-carbonitrile

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

**2-(4-chlorophenyl)-6-(methylthio)-4-oxo-2,3-dihydro-1,3-thiazine-5-carbonitrile** is a chemical compound with the molecular formula C12H9ClN2OS2. It is a derivative of **1,3-thiazine**, a heterocyclic compound containing a six-membered ring with one nitrogen atom and one sulfur atom.

**Importance in Research:**

This compound has shown potential in various research areas, including:

* **Pharmacology:**
* **Anti-inflammatory activity:** It has been reported to possess anti-inflammatory properties, making it a potential candidate for the treatment of inflammatory conditions.
* **Anticancer activity:** Studies have indicated that this compound exhibits anticancer activity against certain cell lines, suggesting its potential as a therapeutic agent.
* **Antimicrobial activity:** It has shown antimicrobial activity against a range of bacteria and fungi, making it a potential candidate for the development of new antibiotics.

* **Materials Science:**
* **Organic electronics:** The presence of sulfur and nitrogen atoms in the molecule suggests potential application in organic electronics, such as in the development of organic semiconductors and organic light-emitting diodes (OLEDs).
* **Polymer synthesis:** It can serve as a building block for the synthesis of novel polymers with unique properties.

**Mechanism of Action:**

The exact mechanism of action of this compound is still under investigation. However, its biological activities are likely due to its ability to interact with various biomolecules, including enzymes, receptors, and DNA.

**Future Directions:**

Further research is needed to fully understand the potential of this compound. Areas of interest include:

* **Detailed structure-activity relationship studies** to optimize its biological activity.
* **In vivo studies** to evaluate its efficacy and safety in animal models.
* **Formulation and development** for potential clinical applications.

**Note:** This information is based on available scientific literature and may not be exhaustive. It is important to consult primary research articles and expert opinions for more detailed and up-to-date information on the specific properties and applications of this compound.

Cross-References

ID SourceID
PubMed CID2803185
CHEMBL ID1589015
CHEBI ID93804

Synonyms (16)

Synonym
IDI1_030965
MLS000851218
smr000457461
2-(4-chlorophenyl)-6-(methylthio)-4-oxo-3,4-dihydro-2h-1,3-thiazine-5-carbonitrile
MAYBRIDGE4_000383
NCGC00177639-01
HMS1522B09
BRD-A09984573-001-04-2
2-(4-chlorophenyl)-6-methylsulfanyl-4-oxo-2,3-dihydro-1,3-thiazine-5-carbonitrile
BRD-A09984573-001-01-8
HMS2809O10
CHEMBL1589015
CCG-243091
CHEBI:93804
Q27165521
2-(4-chlorophenyl)-6-(methylthio)-4-oxo-2,3-dihydro-1,3-thiazine-5-carbonitrile
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
organochlorine compoundAn organochlorine compound is a compound containing at least one carbon-chlorine bond.
[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 (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
thioredoxin reductaseRattus norvegicus (Norway rat)Potency28.18380.100020.879379.4328AID588453
ATAD5 protein, partialHomo sapiens (human)Potency29.08100.004110.890331.5287AID504466
TDP1 proteinHomo sapiens (human)Potency18.47820.000811.382244.6684AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency10.00000.100022.9075100.0000AID485364
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency100.00000.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency31.62280.035520.977089.1251AID504332
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency7.51930.168316.404067.0158AID720504
DNA polymerase eta isoform 1Homo sapiens (human)Potency79.43280.100028.9256213.3130AID588591
gemininHomo sapiens (human)Potency15.46420.004611.374133.4983AID624296; AID624297
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay IDTitleYearJournalArticle
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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.

MetricThis Compound (vs All)
Research Demand Index12.20 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.20)

All Compounds (24.57)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]