HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Acetamidophenylessigsure
Orcl · ms932 · Mover · FAM79A · TPRG1L · ACTARIT · Ake him · Aktalin
Identifikatoren & physikalische Daten
| CAS No. | 18699-02-0 |
|---|---|
| Summenformel | C10H11NO3 |
| Durchschnittliche Molmasse | 193,2 g/mol |
| Monoisotopische Masse | 193,07389321 g/mol |
| SMILES | CC(=O)Nc1ccc(CC(=O)O)cc1 |
| InChIKey | MROJXXOCABQVEF-UHFFFAOYSA-N |
| PubChem CID | 2018 |
| ChEMBL | CHEMBL1885632 |
| ChEBI | CHEBI:31173 |
| EC No. | 242-511-3 |
| DTXSID | DTXSID0020020 |
| Lokaler Name | 4-Acetamidophenylessigsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 219 |
| Arzneimittel | Pharmaceuticals -> Metabolite of Mirabegron |
| Löslichkeit | >29 [ug/mL] (The mean of the results at pH 7.4)DMSO, Ethanol, Methanol |
| Collision Cross Section | 143.5 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0020020] |
| Schmelzpunkt | 173-175°C |
| Siedepunkt | 449.1±28.0 °C(Predicted) |
| Dichte | 1.288±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.34±0.10(Predicted) |
| Farbe | White to Off-White |
| Merck | 14,133 |
| CAS Datenbank | 18699-02-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 29163990 |
| RTECS-Nr. | CY1542000 |
| Toxizität | LD50 in male, female mice, male, female rats (mg/kg): 1.06, 1.30, 1.95, 2.03 i.p.5.68, 5.48, 5.48, 6.12 s.c.15.3, 14.7, 14.8, 15.4 orally (Toshida) |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Beschreibung
Actarit is an orally administered disease-modifying antirheumatic drug launched in Japan. Although its structure resembles that of non-steroidal anti-inflammatory drugs, it has no effect on experimental acute inflammation and has no analgesic or antipyretic effects. Its preventative and therapeutic effects on adjuvant arthritis are mediated via modulation of production and serum level of interleukin-2 which enhances production of suppressor T-cells to the immune system, thereby, preventing development of articular lesions.
Verwenden
Antiarthritic