HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Bredinin
bredinine · HE 69 · bredinin · Mizorbine · MIZORIBINE · Mizoribina · b-Bredinin · NSC 289637
Identifikatoren & physikalische Daten
| CAS No. | 50924-49-7 |
|---|---|
| Summenformel | C9H13N3O6 |
| Durchschnittliche Molmasse | 259,22 g/mol |
| Monoisotopische Masse | 259,08043514 g/mol |
| SMILES | NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O |
| InChIKey | HZQDCMWJEBCWBR-UHFFFAOYSA-N |
| PubChem CID | 4213 |
| ChEMBL | CHEMBL165000 |
Chemische & physikalische Eigenschaften
| XLogP | -1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 151 |
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 329 |
| Schmelzpunkt | >2000C |
| Siedepunkt | 402.47°C (rough estimate) |
| Dichte | 1.4155 (rough estimate) |
| Brechungsindex | 1.5100 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Water (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.75(at 25℃) |
| Farbe | White to Off-White |
| Merck | 14,6222 |
| InChI | InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/s3 |
| InChIKey | HZQDCMWJEBCWBR-UUOKFMHZSA-N |
| SMILES | C1N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(O)=C(C(N)=O)N=1 |&1:2,4,7,9,r| |
| CAS Datenbank | 50924-49-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29349990 |
| RTECS-Nr. | NI3980000 |
| R-Sätze (R) | 46-60-61-36/37/38 |
| Toxizität | LD50 in mice (g/kg): >1.5 i.v., >2.4 i.p. (Mizuno, 1975) |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 53-22-26-36/37/39-45 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Mizoribine is an orally active immunosuppressant isolated from Eupenicillium brefeldianum. It is reported to inhibit both cell-mediated and antibody mediated immune responses. Mizoribine is approved for use in the prevention of rejection of kidney transplants.
Verwenden
Mizoribine has been used in topical treatment to evaluate its effect on ocular surface damage of dry eye in B6 mice subjected to desiccating stress (DS). It has also been used as an inosine monophosphate dehydrogenase (IMPDH) inhibitor to test its in vivo efficacy.