**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.
ID Source | ID |
---|---|
PubMed CID | 2803185 |
CHEMBL ID | 1589015 |
CHEBI ID | 93804 |
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 |
Class | Description |
---|---|
organochlorine compound | An 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 28.1838 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504466 |
TDP1 protein | Homo sapiens (human) | Potency | 18.4782 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 10.0000 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 100.0000 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 31.6228 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 7.5193 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 79.4328 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
geminin | Homo sapiens (human) | Potency | 15.4642 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & 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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |