HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Frentizole
Frenazole · Frentizole · Lilly-53616 · Frentizole, 10 mM in DMSO · 1-(6-Methoxybenzothiazol-2-yl)-3-phenylurea · 1-(6-Methoxybenzo[d]thiazol-2-yl)-3-phenylurea · N-[6-Methoxybenzo[d]thiazol-2-yl]-N'-phenylurea · Urea, N-(6-methoxy-2-benzothiazolyl)-N'-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 26130-02-9 |
|---|---|
| Summenformel | C15H13N3O2S |
| Durchschnittliche Molmasse | 299,3 g/mol |
| Monoisotopische Masse | 299,07284784 g/mol |
| SMILES | COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1 |
| InChIKey | JHBWYQRKOUBPCA-UHFFFAOYSA-N |
| PubChem CID | 33334 |
| ChEMBL | CHEMBL128988 |
| EC No. | 666-432-2 |
| DTXSID | DTXSID5046279 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 363 |
| Löslichkeit | <0.2 [ug/mL] (The mean of the results at pH 7.4)DMSO: ≥ 3 mg/mL (10.02 mM) |
| Dichte | 1.420±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| pKa (Säurekonstante) | 7.02±0.70(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to off-white |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Immunoregulator.