The compound you're describing, 2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one, is a complex organic molecule with a specific chemical structure.
**Structure Breakdown:**
* **[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one:** This refers to the core structure of the molecule. It is a fused ring system containing a thiadiazole ring (containing sulfur and nitrogen) fused to a quinazoline ring (containing nitrogen). The '5-one' indicates a carbonyl (C=O) group at the 5th position of the quinazoline ring.
* **2-(3-methylanilino):** This part describes a substituent attached to the 2nd position of the quinazoline ring. It's an aniline group (NH2 attached to a benzene ring) with a methyl group (CH3) at the 3rd position of the benzene ring.
**Potential Importance in Research:**
While the exact properties and potential applications of this specific compound are not readily available in public databases, based on its structure and similar compounds, it could be of interest in various research areas, including:
* **Medicinal Chemistry:** This type of molecule contains nitrogen heterocycles, a common feature in pharmaceuticals. It might exhibit biological activity as a potential:
* **Antibacterial agent:** Some thiadiazoles and quinazolines have antibacterial properties.
* **Anti-inflammatory agent:** Certain nitrogen heterocycles possess anti-inflammatory effects.
* **Anti-cancer agent:** Some quinazoline derivatives have shown promise in cancer treatment.
* **Material Science:** The structure of the compound suggests it could potentially be used in:
* **Dye synthesis:** The presence of nitrogen heterocycles and the conjugated system might give rise to color and photoluminescent properties.
* **Organic electronics:** Certain thiadiazole and quinazoline derivatives are explored for their applications in organic solar cells or transistors.
**Key Points:**
* **Structural Complexity:** The compound's complex structure suggests a potential for diverse properties and applications.
* **Limited Information:** Specific research findings on this compound might not be publicly available. To understand its exact importance, further investigation and experimental analysis are needed.
* **Similar Compounds:** Research on similar thiadiazole and quinazoline derivatives can provide clues about the potential of this molecule.
**To learn more about the specific research on this compound, you can:**
* **Search scientific databases:** Look up the compound name in databases like PubMed, SciFinder, or Reaxys.
* **Contact researchers in relevant fields:** Reach out to scientists specializing in medicinal chemistry, organic chemistry, or materials science.
* **Review patent literature:** Search for patents that mention this compound or its related analogues.
By doing so, you can gain a deeper understanding of its importance in ongoing research.
ID Source | ID |
---|---|
PubMed CID | 3238944 |
CHEMBL ID | 1505300 |
CHEBI ID | 92576 |
SCHEMBL ID | 2116200 |
Synonym |
---|
OPREA1_586710 |
MLS000095263-02 |
smr000030817 |
MLS000095263 , |
2-[(3-methylphenyl)amino]-5h-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
5h-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one, 2-[(3-methylphenyl)amino]- |
2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
AKOS001942575 |
NCGC00071218-01 |
NCGC00071218-02 |
MLS002607691 |
SCHEMBL2116200 |
HMS2424A08 |
106511-87-9 |
F0916-4549 |
2-(m-tolylamino)-5h-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
CHEMBL1505300 |
bdbm47086 |
2-[(3-methylphenyl)amino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
cid_3238944 |
2-(m-toluidino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
CHEBI:92576 |
SR-01000557872-1 |
sr-01000557872 |
Q27164298 |
Class | Description |
---|---|
quinazolines | Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. |
[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, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 14.5500 | 0.0040 | 23.8416 | 100.0000 | AID485290; AID489007 |
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 89.1251 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 0.7569 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
ClpP | Bacillus subtilis | Potency | 31.6228 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 2.3109 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
tyrosyl-DNA phosphodiesterase 1 | Homo sapiens (human) | Potency | 10.0000 | 10.0000 | 10.0000 | 10.0000 | AID492989; AID504474 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 89.1251 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
P53 | Homo sapiens (human) | Potency | 63.0957 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 3.9811 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 16.3601 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
DNA polymerase beta | Homo sapiens (human) | Potency | 6.9906 | 0.0224 | 21.0102 | 89.1251 | AID485314; AID540280 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 0.7079 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 84.9214 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 2.5119 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 1.4125 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 7.9433 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 28.1838 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 25.1189 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 35.7168 | 1.9953 | 25.5327 | 50.1187 | AID624287; AID624288 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 29.9033 | 1.0000 | 10.4756 | 28.1838 | AID1457; AID901 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
PSMD14 protein | Homo sapiens (human) | IC50 (µMol) | 17.6000 | 1.3000 | 21.8715 | 50.9000 | AID602368 |
TPA: prothrombin | Bos taurus (cattle) | IC50 (µMol) | 100.0000 | 4.8100 | 36.7432 | 77.4000 | AID602369 |
tyrosine-protein phosphatase non-receptor type 11 isoform 1 | Homo sapiens (human) | IC50 (µMol) | 1.7100 | 0.1600 | 3.3759 | 9.8800 | AID602367 |
dual specificity protein phosphatase 3 | Homo sapiens (human) | IC50 (µMol) | 1.2100 | 0.4000 | 9.3610 | 90.0000 | AID602374 |
72 kDa type IV collagenase isoform 1 preproprotein | Homo sapiens (human) | IC50 (µMol) | 5.7900 | 5.7900 | 38.9633 | 78.4000 | AID602361 |
tyrosine-protein phosphatase non-receptor type 5 isoform a | Homo sapiens (human) | IC50 (µMol) | 6.2550 | 4.1700 | 12.5457 | 19.0000 | AID602372; AID624207 |
tyrosine-protein phosphatase non-receptor type 22 isoform 1 | Homo sapiens (human) | IC50 (µMol) | 96.1940 | 0.4800 | 2.6449 | 8.3270 | AID624241 |
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 | Homo sapiens (human) | IC50 (µMol) | 3.1630 | 2.0580 | 8.2052 | 41.3880 | AID540297 |
dual specificity protein phosphatase 6 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 10.0000 | 0.8320 | 24.1190 | 48.2000 | AID425 |
tyrosine-protein phosphatase non-receptor type 7 isoform 2 | Homo sapiens (human) | IC50 (µMol) | 2.7400 | 0.1000 | 12.7265 | 63.0000 | AID521 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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 | |||
[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] |