Daltroban
BM-13505 · DALTROBAN · SKF-96148 · Daltroban USP/EP/BP · DatelliptiumChloride · Daltroban >98% (HPLC) · Daltroban, 10 mM in DMSO · 4-[2-(4-Chlorobenzene-sulfonamido)ethyl]benzeneacetic acid
Identifikatoren & physikalische Daten
| CAS No. | 79094-20-5 |
|---|---|
| Summenformel | C16H16ClNO4S |
| Durchschnittliche Molmasse | 353,8 g/mol |
| Monoisotopische Masse | 353,04885667 g/mol |
| SMILES | O=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 |
| InChIKey | IULOBWFWYDMECP-UHFFFAOYSA-N |
| PubChem CID | 54343 |
| ChEMBL | CHEMBL71685 |
| EC No. | 635-983-0 |
| DTXSID | DTXSID6046501 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 475 |
| Schmelzpunkt | 132.5-137.4 °C(lit.) |
| Siedepunkt | 555.3±60.0 °C(Predicted) |
| Dichte | 1.378±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | DMSO: 22 mg/mL, soluble |
| pKa (Säurekonstante) | 4.33±0.10(Predicted) |
| Aggregatzustand | A solid |
| Farbe | white |
| InChI | InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20) |
| InChIKey | IULOBWFWYDMECP-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=C(CCNS(C2=CC=C(Cl)C=C2)(=O)=O)C=C1 |
| CAS Datenbank | 79094-20-5(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)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Daltroban (BM 13505, SKF 96148), a specific thromboxane A2 receptor antagonist, was studied as an antithrombotic agent. Daltroban increases intracellular calcium in vascular smooth muscle cells. Daltroban shows a protective effect in reperfusion injury. The drug was licensed to Smith Kline Beecham and underwent phase III clinical trials in the UK and Germany as an antithrombotic agent but did not enter clinical trials in the USA. Besides, вaltroban was investigated in patients with an ischemic heart disorder. However, the development of daltroban has been discontinued.
Verwenden
Daltroban can be used as a2 receptor to target adipose-derived stem cell for treating ischemic diseases.