Pranlukast
Onon · rs411 · Ultair · ono1078 · Prenast · Prandtl · Pranlukas · ONO-RS-411
Identifikatoren & physikalische Daten
| CAS No. | 103177-37-3 |
|---|---|
| Summenformel | C27H23N5O4 |
| Durchschnittliche Molmasse | 481,5 g/mol |
| Monoisotopische Masse | 481,17500423 g/mol |
| SMILES | O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1 |
| InChIKey | NBQKINXMPLXUET-UHFFFAOYSA-N |
| PubChem CID | 4887 |
| ChEMBL | CHEMBL11350 |
| ChEBI | CHEBI:94810 |
| EC No. | 808-178-9 |
| DTXSID | DTXSID3043782 |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 119 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 778 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 236-238°C |
| Dichte | 1.374±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | Soluble in DMSO (up to 25 mg/ml) |
| pKa (Säurekonstante) | 4.96±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | White |
| Merck | 14,7710 |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month. |
| InChIKey | NBQKINXMPLXUET-UHFFFAOYSA-N |
| SMILES | C(NC1=C2OC(C3=NNN=N3)=CC(=O)C2=CC=C1)(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1 |
| CAS Datenbank | 103177-37-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)PranlukastDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Zollcode | 2934.99.4400 |
| RTECS-Nr. | CV5647500 |
| R-Sätze (R) | 11-34 |
| Toxizität | LD50 in male mice (mg/kg): >1000 i.v. (Toda) |
| Gefahrensymbole | F,C |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
Anwendungen & Verwendung
Beschreibung
Pranlukast, a novel chromone derivative, was introduced in Japan for the treatment of bronchial asthma and allergic diseases. Pranlukast is a highly potent, selective and competitive antagonist of peptidoleukotrienes with high affinity for the LTD4 receptor. In patients with bronchial asthma, pranlukast was reported to induce significant improvement in both immediate and late asthmatic response induced by antigen. Pranlukast is also being evaluated clinically for the treatment of perennial allergic rhinitis, pediatric asthma, and cutaneous pruritus in dialysis patients. The therapeutic potential of pranlukast in managing irritable bowel syndrome has been suggested.
Verwenden
Labeled Pranlukast, intended for use as an internal standard for the quantification of Pranlukast by GC- or LC-mass spectrometry.