product description：
A selective inhibitor of MMP-13 (IC50 = 10 µM) that does not appear to act by chelating Zn2+. Binds within the entire S1′ pocket of MMP-13, docking with the morpholine ring adjacent to the catalytic zinc atom. Does not inhibit MMP-1, MMP-9, and TACE.
A selective inhibitor of MMP-13 (IC50 = 10 µM). Binds to the S1′ pocket of MMP-13 with its morpholine ring adjacent to the catalytic zinc atom. Does not inhibit MMP-1, MMP-9, and TACE.
| Sonrisas canónicas | C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2.Cl |
|---|---|
| IUPAC Name | N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide;hydrochloride |
| InChIKey | PIOACXKZWXHBRB-UHFFFAOYSA-N |
| INCHI | 1S/C17H22N2O3.ClH/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19;/h1-2,5-6,13H,3-4,7-12H2,(H,18,20);1H |
| Isómeros SMILES | C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2.Cl |
| Peso molecular | 338.83 |
| Reaxy-Rn | 25085313 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25085313&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Furoic acid and derivatives 2-heteroaryl carboxamides Morpholines Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - 2-heteroaryl carboxamide - Furoic acid or derivatives - Morpholine - Oxazinane - Benzenoid - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 K2211166 | Certificate of Analysis | Aug 18, 2025 | C287353 |
| K2211165 | Certificate of Analysis | Aug 18, 2025 | C287353 |
| K2211164 | Certificate of Analysis | Aug 18, 2025 | C287353 |
| K2211163 | Certificate of Analysis | Aug 18, 2025 | C287353 |
| K2211162 | Certificate of Analysis | Aug 18, 2025 | C287353 |
| Solubilidad | Solvent:water, Max Conc. mg/mL: 33.88, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 25.41, Max Conc. mM: 75 |
|---|---|
| Sensibilidad | Moisture sensitive |
| Peso molecular | 338.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 338.14 Da |
| Monoisotopic Mass | 338.14 Da |
| Topological Polar Surface Area | 54.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 358.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
