Atrasentan Hydrochloride
Atrasentan HCl · ABT627 · ABT 627 · ABT-627 · A 147627.1 · Abbott 147627 · Unii-E4G31X93za · ABT-627 hydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 195733-43-8 |
|---|---|
| Summenformel | C29H39ClN2O6 |
| Durchschnittliche Molmasse | 547,1 g/mol |
| Monoisotopische Masse | 546,2496647 g/mol |
| SMILES | CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl |
| InChIKey | IJFUJIFSUKPWCZ-SQMFDTLJSA-N |
| PubChem CID | 159595 |
| ChEMBL | CHEMBL2106068 |
| DTXSID | DTXSID20173240 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 88,5 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 38 |
| Formalladung | 0 |
| Komplexität | 734 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Soluble in DMSO |
| Aggregatzustand | Powder |
| Farbe | Off-white to gray |
| InChIKey | IJFUJIFSUKPWCZ-FZVADPAUNA-N |
| SMILES | C1(=CC2=C(OCO2)C=C1)[C@@H]1[C@@H](C(=O)O)[C@H](C2C=CC(OC)=CC=2)N(CC(N(CCCC)CCCC)=O)C1.Cl |&1:9,10,14,r| |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Atrasentan Hydrochloride is the orally available hydrochloride salt of pyrrolidine-3-carboxylic acid with potential antineoplastic activity. As a selective antagonist of the endothelin-A (ETA) receptor, atrasentan binds selectively to the ETA receptor, which may result in inhibition of endothelin-induced angiogenesis and tumor cell proliferation.
Verwenden
Atrasentan belongs to a pyrrolidine and benzodioxole derivative. It is a selective antagonist of the endothelin-A (ETA) receptor and binds selectively to the ETA receptor, which may result in the inhibition of endothelin-induced angiogenesis and tumor cell proliferation. Its potential therapeutic uses include the treatment of diabetic nephropathies and as an antineoplastic agent.