The compound you described, **2-(4-methylanilino)-4-pyrido[3,2-e][1,3]thiazinone**, is a complex organic molecule with potential applications in medicinal chemistry and materials science. Here's a breakdown:
**Structure and Composition:**
* **2-(4-methylanilino):** This part indicates a 4-methylaniline group (aniline with a methyl group at the para position) attached to the thiazinone ring at position 2.
* **4-pyrido[3,2-e][1,3]thiazinone:** This refers to a thiazinone ring system fused with a pyridine ring. The pyrido part indicates that a pyridine ring is fused to the thiazinone ring, and the [3,2-e] specifies how the pyridine ring is attached.
**Potential Applications:**
* **Medicinal Chemistry:** This molecule might possess interesting pharmacological properties due to its unique structure. It could potentially act as:
* **Anti-inflammatory agent:** Thiazinone derivatives have been reported to have anti-inflammatory effects.
* **Antimicrobial agent:** The presence of the heterocyclic ring system could offer antimicrobial activity.
* **Anticancer agent:** Compounds with thiazinone rings have shown promising anticancer activity in some studies.
* **Materials Science:** This molecule could find application in:
* **Organic electronics:** Thiazinones are known for their potential as organic semiconductors and have been investigated for use in organic light-emitting diodes (OLEDs) and solar cells.
**Research Importance:**
The importance of this compound in research lies in its:
* **Novel Structure:** The combination of the thiazinone and pyridine rings creates a unique structure that might exhibit interesting properties.
* **Potential for Biological Activity:** The presence of functional groups like the aniline moiety suggests potential for biological activity.
* **Opportunities for Drug Development:** The study of this compound could lead to the discovery of new drugs with therapeutic benefits.
* **Material Science Applications:** Exploring its electronic properties could pave the way for new materials for organic electronics.
**Note:** It's important to remember that the exact properties and applications of this specific compound are still under investigation. Further research is needed to fully understand its potential.
ID Source | ID |
---|---|
PubMed CID | 973891 |
CHEMBL ID | 1481930 |
CHEBI ID | 120750 |
SCHEMBL ID | 7099764 |
Synonym |
---|
2-[(4-methylphenyl)amino]-4h-pyrido[3,2-e][1,3]thiazin-4-one |
MLS000064990 , |
smr000078324 |
CHEMDIV2_001928 |
BAS 09531330 , |
STK335378 |
CHEBI:120750 |
2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one |
HMS1374H14 |
AKOS000585926 |
HMS2485P17 |
89374-39-0 |
CHEMBL1481930 |
2-(4-methylanilino)-4h-pyrido[3,2-e]-1,3-thiazin-4-one |
SCHEMBL7099764 |
pyrido[3,2-e][1,3]thiazin-4-one, 2-p-tolylamino- |
Q27208887 |
2-(4-methylanilino)-4-pyrido[3,2-e][1,3]thiazinone |
DTXSID60359586 |
CCG-275116 |
2-(4-toluidino)-4h-pyrido[3,2-e][1,3]thiazin-4-one |
Class | Description |
---|---|
substituted aniline | |
[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) |
---|---|---|---|---|---|---|---|
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 50.1187 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 11.9955 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 16.7958 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 3.9811 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 11.2202 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 3.1623 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 5.8048 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 2.5119 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 2.8184 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
plasminogen precursor | Mus musculus (house mouse) | Potency | 2.8184 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 2.8184 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
geminin | Homo sapiens (human) | Potency | 12.7800 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 17.7828 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
[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. |
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. |
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. |
[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] |