Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)
CS-356 · D02451 · Fadrazole · CGS-16949A · Fadrozole HCl · Fadrozole hydrochloride · Fadrozole HCl (CGS-16949A) · Fadrozole hydrochloride (usan)
Identifikatoren & physikalische Daten
| CAS No. | 102676-31-3 |
|---|---|
| Summenformel | C14H14ClN3 |
| Durchschnittliche Molmasse | 259,73 g/mol |
| Monoisotopische Masse | 259,08762513 g/mol |
| SMILES | Cl.N#Cc1ccc(C2CCCc3cncn32)cc1 |
| InChIKey | UKCVAQGKEOJTSR-UHFFFAOYSA-N |
| PubChem CID | 59694 |
| ChEMBL | CHEMBL468419 |
| ChEBI | CHEBI:31589 |
| EC No. | 631-311-5 |
| DTXSID | DTXSID4020618 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 41,6 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 311 |
| Schmelzpunkt | 231-233℃ |
| Lagerbedingungen | room temp |
| Löslichkeit | DMSO: >20mg/mL |
| Aggregatzustand | powder |
| Farbe | Pale Beige to Pale Yellow |
| Stabilität | Hygroscopic |
| InChI | 1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H21H |
| InChIKey | UKCVAQGKEOJTSR-UHFFFAOYSA-N |
| SMILES | Cl.N#Cc1ccc(cc1)C2CCCc3cncn23 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P270, P280, P301+P316, P318, P321, P330, 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 | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| RTECS-Nr. | DI4952500 |
| R-Sätze (R) | 63-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 OralRepr. 2 |
Anwendungen & Verwendung
Beschreibung
Fadrozole hydrochloride is a non-steroidal imidazole derivative launched for the treatment of post-menopausal breast cancer. Fadrozole is a potent and specific aromatase inhibitor with neither androgenic nor estrogenic activities due to its structural novelty. Fadrozole exerts its action by coordinating with the iron of the porphyrin nucleus, presumably through the imidazole moiety. This strong binding competes with the binding of molecular oxygen to iron and reversibly inactivates the enzyme. An excellent clinical response rate has been reported for fadrozole with no significant side effects.
Verwenden
Fadrozole hydrochloride is a very potent and selective inhibitory effect of the aromatase enzyme system.