MMP-9-IN-1 : A secondary carboxamide resulting from the formal condensation of the carboxy group of [(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid with the amino group of 4-(difluoromethoxy)aniline. It is a specific matrix metalloproteinase-9 (MMP-9) inhibitor. [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]
| ID Source | ID |
|---|---|
| PubMed CID | 135415473 |
| CHEMBL ID | 1409442 |
| CHEBI ID | 156264 |
| SCHEMBL ID | 20510540 |
| Synonym |
|---|
| MLS000048818 , |
| smr000062526 |
| n-[4-(difluoromethoxy)phenyl]-2-[(6-oxo-4-propyl-1h-pyrimidin-2-yl)sulfanyl]acetamide |
| oun87710 |
| mmp9-in-1 |
| n-(4-(difluoromethoxy)phenyl)-2-((6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)thio)acetamide , |
| CHEBI:156264 |
| oun 87710 |
| mmp-9-in1 |
| oun-87710 |
| mmp-9-in-1 |
| 502887-71-0 |
| n-[4-(difluoromethoxy)phenyl]-2-[(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide |
| MLS002636946 |
| n-[4-(difluoromethoxy)phenyl]-2-[(4-oxo-6-propyl-1h-pyrimidin-2-yl)sulfanyl]acetamide |
| HMS2343B21 |
| n-[4-(difluoromethoxy)phenyl]-2-[(4-oxo-6-propyl-1h-pyrimidin-2-yl)thio]acetamide |
| bdbm89620 |
| n-[4-(difluoromethoxy)phenyl]-2-[(4-keto-6-propyl-1h-pyrimidin-2-yl)thio]acetamide |
| n-[4-[bis(fluoranyl)methoxy]phenyl]-2-[(4-oxidanylidene-6-propyl-1h-pyrimidin-2-yl)sulfanyl]ethanamide |
| cid_2407875 |
| CHEMBL1409442 , |
| abm-7710 |
| Z56897499 |
| EX-A3620 |
| BS-16902 |
| SCHEMBL20510540 |
| n-[4-(difluoromethoxy)phenyl]-2-[(4-oxo-6-propyl-1h-pyrimidin-2-yl)sulfanyl]-acetamide |
| BCP32608 |
| mfcd09276885 |
| CS-0110110 |
| HY-135232 |
| AKOS034464345 |
| D81517 |
| S0769 |
| bdbm50546206 |
| oltrrvuorwprgf-uhfffaoysa-n |
| Role | Description |
|---|---|
| EC 3.4.24.35 (gelatinase B) inhibitor | An EC 3.4.24.* (metalloendopeptidase) inhibitor that interferes with the action of gelatinase B (EC 3.4.24.35). |
| antineoplastic agent | A substance that inhibits or prevents the proliferation of neoplasms. |
| [role 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] | |
| Class | Description |
|---|---|
| organofluorine compound | An organofluorine compound is a compound containing at least one carbon-fluorine bond. |
| aromatic compound | A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character. |
| pyrimidone | A pyrimidine carrying one or more oxo substituents. |
| organic sulfide | Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers. |
| secondary carboxamide | A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1). |
| [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, Beta-lactamase | Escherichia coli K-12 | Potency | 1.5849 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
| apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 15.8489 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
| [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) |
|---|---|---|---|---|---|---|---|
| corticotropin-releasing hormone receptor 2 | Homo sapiens (human) | IC50 (µMol) | 47.1000 | 0.3680 | 7.0955 | 18.0000 | AID602180 |
| corticotropin releasing factor-binding protein | Homo sapiens (human) | IC50 (µMol) | 47.1000 | 0.3680 | 7.0955 | 18.0000 | AID602180 |
| [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) |
|---|---|---|---|---|---|---|---|
| corticotropin-releasing hormone receptor 2 | Homo sapiens (human) | EC50 (µMol) | 53.0000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
| corticotropin releasing factor-binding protein | Homo sapiens (human) | EC50 (µMol) | 53.0000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
| Matrix metalloproteinase-9 | Homo sapiens (human) | Kd | 2.1000 | 2.1000 | 2.1400 | 2.1800 | AID1674036 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| endopeptidase activity | Matrix metalloproteinase-9 | Homo sapiens (human) |
| metalloendopeptidase activity | Matrix metalloproteinase-9 | Homo sapiens (human) |
| serine-type endopeptidase activity | Matrix metalloproteinase-9 | Homo sapiens (human) |
| protein binding | Matrix metalloproteinase-9 | Homo sapiens (human) |
| collagen binding | Matrix metalloproteinase-9 | Homo sapiens (human) |
| peptidase activity | Matrix metalloproteinase-9 | Homo sapiens (human) |
| metallopeptidase activity | Matrix metalloproteinase-9 | Homo sapiens (human) |
| zinc ion binding | Matrix metalloproteinase-9 | Homo sapiens (human) |
| identical protein binding | Matrix metalloproteinase-9 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| extracellular region | Matrix metalloproteinase-9 | Homo sapiens (human) |
| extracellular space | Matrix metalloproteinase-9 | Homo sapiens (human) |
| collagen-containing extracellular matrix | Matrix metalloproteinase-9 | Homo sapiens (human) |
| extracellular exosome | Matrix metalloproteinase-9 | Homo sapiens (human) |
| tertiary granule lumen | Matrix metalloproteinase-9 | Homo sapiens (human) |
| ficolin-1-rich granule lumen | Matrix metalloproteinase-9 | Homo sapiens (human) |
| extracellular space | Matrix metalloproteinase-9 | 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. |
| 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 | |||
| 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID1674036 | Binding affinity to MMP9 (unknown origin) by fluorescence spectroscopy | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Matrix Metalloproteinases as New Targets in Alzheimer's Disease: Opportunities and Challenges. |
| [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 (16.67) | 29.6817 |
| 2010's | 3 (50.00) | 24.3611 |
| 2020's | 2 (33.33) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (16.67%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 5 (83.33%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||