HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-((4-((2-Carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acid
Giazo · CS-1360 · balsalazido · BALSALAZIDE · Balsalazine · Balsalazidum · COLAZAL · Balsalazide D4
Identifikatoren & physikalische Daten
| CAS No. | 80573-04-2 |
|---|---|
| Summenformel | C17H15N3O6 |
| Durchschnittliche Molmasse | 357,32 g/mol |
| Monoisotopische Masse | 357,0960852 g/mol |
| SMILES | O=C(O)CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1 |
| InChIKey | IPOKCKJONYRRHP-UHFFFAOYSA-N |
| PubChem CID | 54585 |
| ChEMBL | CHEMBL1208641 |
| ChEBI | CHEBI:267413 |
| DTXSID | DTXSID50861027 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 149 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 545 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Löslichkeit | Freely soluble as disodium saltDMSO (Slightly), Methanol (Slightly) |
| Schmelzpunkt | 254-255C |
| Siedepunkt | 729.6±60.0 °C(Predicted) |
| Dichte | 1.44±0.1 g/cm3(Predicted) |
| Dampfdruck | 0Pa at 20℃ |
| Lagerbedingungen | -20°C Freezer |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.97±0.10(Predicted) |
| Farbe | Yellow to Beige |
| InChI | InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-19+ |
| InChIKey | IPOKCKJONYRRHP-FMQUCBEESA-N |
| SMILES | C(O)(=O)C1=CC(/N=N/C2=CC=C(C(NCCC(O)=O)=O)C=C2)=CC=C1O |
| LogP (Verteilungskoeffizient) | 1 at 25℃ and pH7.5 |
| EPA chemische Informationen | Benzoic acid, 5-[(1E)-2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-2-hydroxy- (80573-04-2) |
Anwendungen & Verwendung
Beschreibung
Balsalazide is a prodrug form of 5-aminosalicylic acid (5-ASA; ). It is cleaved by bacterial azoreductases in the intestinal lumen to release 5-ASA. Balsalazide (600 mg/kg per day) decreases IL-2 levels and increases IL-6 levels in the serum and colonic mucosa membrane, as well as decreases micro- and macroscopic colonic damage, in a rat model of colitis induced by 2,4-dinitrochlorobenzene (DNCB). Formulations containing balsalazide have been used in the treatment of ulcerative colitis.
Verwenden
An analogue of Sulfasalazine, A prodrug of 5-Aminosalicylic Acid