The compound you've described, **2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid**, is a complex organic molecule with a specific structure. This structure is often simplified by scientists using the chemical name **2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propionic acid** or the abbreviation **MOPP**.
While there is no publicly available information about its specific applications in research, the presence of certain structural features within the molecule suggests potential areas of interest:
**Structural Features & Potential Applications:**
* **Pyridazine Ring:** Pyridazines are known to exhibit a wide range of biological activities, including anti-inflammatory, antitumor, and antimicrobial properties.
* **Benzothiolo Ring:** This ring system is commonly found in compounds with potential therapeutic applications. For example, some benzothiolo derivatives are known to possess anti-cancer activity.
* **Propanoic Acid Group:** This group is often associated with drug molecules as it can affect a compound's pharmacokinetic properties, influencing how the drug is absorbed, distributed, metabolized, and eliminated from the body.
**Hypothetical Research Significance:**
Given the presence of these structural features, it is likely that this compound might be of interest to researchers working in the following fields:
* **Drug Discovery:** The molecule's potential for biological activity, particularly its possible anti-inflammatory, antitumor, and antimicrobial properties, might lead to further research to explore its use as a lead compound for drug development.
* **Medicinal Chemistry:** Chemists might study the molecule's structure-activity relationship (SAR) to understand how different parts of the molecule contribute to its biological activity.
* **Chemical Biology:** Researchers could investigate the interactions of this molecule with biological systems, such as enzymes, receptors, or proteins, to elucidate its mechanism of action.
**Important Note:** Without specific research publications or experimental data, it is impossible to definitively state the specific reasons for this molecule's importance. Its significance is likely related to its structural features and potential for biological activity, but further research is needed to confirm its actual applications.
ID Source | ID |
---|---|
PubMed CID | 3242118 |
CHEMBL ID | 1523214 |
CHEBI ID | 109278 |
Synonym |
---|
2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1h)-yl)propanoic acid |
smr000031388 |
MLS000095840 , |
CHEBI:109278 |
AKOS004911570 |
2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid |
CCG-34121 |
HMS2434D05 |
2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)propionic acid |
bdbm42732 |
2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid |
cid_3242118 |
OSERJAMIDNURES-UHFFFAOYSA-N |
[1]benzothieno[2,3-d]pyridazine-2-acetic acid, 1,2-dihydro-.alpha.,4-dimethyl-1-oxo- |
CHEMBL1523214 |
Q27188357 |
SR-01000102363-1 |
sr-01000102363 |
Class | Description |
---|---|
organonitrogen compound | Any heteroorganic entity containing at least one carbon-nitrogen bond. |
organooxygen compound | An organochalcogen compound containing at least one carbon-oxygen 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) |
---|---|---|---|---|---|---|---|
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 22.3872 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 37.9330 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
ClpP | Bacillus subtilis | Potency | 28.1838 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 18.4782 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 22.3872 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
P53 | Homo sapiens (human) | Potency | 70.7946 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0018 | 15.6638 | 39.8107 | AID894 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 2.5119 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 17.7828 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 35.4813 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[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) |
---|---|---|---|---|---|---|---|
major prion protein preproprotein Prp precursor | Homo sapiens (human) | IC50 (µMol) | 8.4520 | 0.9360 | 4.8742 | 8.4840 | AID743453 |
Mitogen-activated protein kinase 10 | Homo sapiens (human) | IC50 (µMol) | 93.1200 | 0.0020 | 1.7035 | 10.0000 | AID1284 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
JUN kinase activity | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
MAP kinase kinase activity | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
protein binding | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
ATP binding | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
protein serine kinase activity | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
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 |
---|---|---|
nucleoplasm | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
cytoplasm | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
mitochondrion | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
cytosol | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
plasma membrane | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
nucleus | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
cytoplasm | Mitogen-activated protein kinase 10 | Homo sapiens (human) |
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 |
---|---|---|---|---|
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. |
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 | |||
AID1745845 | 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. |
[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] |