| CAS Number | 204140-01-2 |
| Catalog Number | AG00BERL(AGN-PC-0BS7RY) |
| Chemical Name | MMP-9/MMP-13 Inhibitor I |
| IUPAC Name | N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenylbenzoyl)piperazine-2-carboxamide |
| InChI | InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29) |
| InChI Key | KXZZWRQJKQVMKR-UHFFFAOYSA-N |
| MDL Number | MFCD03453559 |
| Molecular Formula | C25H25N3O6S |
| Molecular Weight | 495.5475 |
| NSC Number | 727680 |
| SMILES | O=C(N1CCN(S(C2=CC=C(OC)C=C2)(=O)=O)C(C(NO)=O)C1)C(C=C3)=CC=C3C4=CC=CC=C4 |
| Synonyms | MMP-9/MMP-13 Inhibitor I,
CHEMBL125598,
N-Hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-biphenylcarbonyl)piperazine-2-carboxamide,
204140-01-2,
SCHEMBL1272867,
BDBM50084726,
NSC727680,
NSC-727680,
J-013296,
MMP-9/MMP-13 Inhibitor l CalBioChem Cat. No. 444252,
4-(Biphenyl-4-carbonyl)-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide,
MMP-9,
mmp-9/mmp-13 inhibitor ii,
IN1255,
CID9983251,
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenylbenzoyl)piperazine-2-carboxamide,
|
| Complexity | 825 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 495.146407g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 495.5g/mol |
| Monoisotopic Mass | 495.146407g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 125Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number