N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
NNGH, Matrix metalloprotease (MMP) inhibitor · MMP-3 Inhibitor II - CAS 161314-17-6 - Calbiochem · MMP Inhibitor Set I - CAS 161314-17-6 - Calbiochem · N-Hydroxy-2-((N-isobutyl-4-methoxyphenyl)sulfonamido)acetamide · N-hydroxy-2-[N-(2-methylpropyl)-4-methoxybenzenesulfonamido]acetamide · N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide · AcetaMide, N-hydroxy-2-[[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)aMino]-
Identifikatoren & physikalische Daten
| CAS No. | 161314-17-6 |
|---|---|
| Summenformel | C13H20N2O5S |
| Durchschnittliche Molmasse | 316,38 g/mol |
| Monoisotopische Masse | 316,10929292 g/mol |
| SMILES | COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1 |
| InChIKey | JIRXORZYIXSWOB-UHFFFAOYSA-N |
| PubChem CID | 448002 |
| ChEMBL | CHEMBL311932 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 104 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 424 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 125-126 °C |
| Dichte | 1.271±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: soluble15mg/mL, clear |
| Aggregatzustand | White solid |
| pKa (Säurekonstante) | 8.98±0.20(Predicted) |
| Farbe | white to beige |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months. |
| InChI | 1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16) |
| InChIKey | JIRXORZYIXSWOB-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
NNGH is a cell-permeable, broad-spectrum inhibitor of matrix metalloproteinases (MMPs). It blocks the activity of MMP-8, -9, -12, -13, and -20 with Ki values of 9, 2.6, 4.3, 3.1, and 17 nM, respectively. It also inhibits MMP-1, -3, -7, and -10 with Ki values of 0.17, 0.13, 13, and 0.1 μM, respectively. It is commonly used to study the role of MMP-3 (stromelysin 1) in biological systems.
Verwenden
MMP-3 Inhibitor II is a cell-permeable, broad-spectrum inhibitor of matrix metalloproteinases (MMPs). It blocks the activity of MMP-8, -9, -12, -13, and -20 with Ki values of 9, 2.6, 4.3, 3.1, and 17 nM, respectively. It also inhibits MMP-1, -3, -7, and -10 with Ki values of 0.17, 0.13, 13, and 0.1 μM, respectively. It is commonly used to study the role of MMP-3 (stromelysin 1) in biological systems.[Cayman Chemical]