Fadrozole
Grundinformationen
- CAS
102676-47-1- Standard-SMILES
N#Cc1ccc(C2CCCc3cncn32)cc1- InChIKey
CLPFFLWZZBQMAO-UHFFFAOYSA-N- Summenformel
- C14H13N3
- Durchschnittliche Molmasse
- 223,27 g/mol
- Monoisotopische Masse
- 223,11094743
Überblick
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile is an imidazopyridine.
Namen und Bezeichner
- Bevorzugter Name
- Fadrozole
- IUPAC
- 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
- Englischer Name
- FADROZOLE
- Summenformel
- C14H13N3
- Molmasse
- 223.27
Namen und Synonyme
FADROZOLE102676-47-14-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrileFadrozolFadrozolumBenzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-DTXSID5034141H3988M64PUCGS020286ABenzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-CGS16949A4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile
Weitere Namen anzeigen
AfemaCS-2710FAD 286)CGS-16949CGS-169494FADROZOLE USP/EP/BPFadrozole (CGS 16949AFadrozole, 10 mM in DMSO
4-(5,6,7,8-tetrahydroimidazo(5,1-f)pyridin-5-yl)benzonitrile4-(5,6,7,8-tetrahydroimidazo[5,1-f]pyridin-5-yl)benzonitrileFAD286CGS-020286ARefChem:597144DTXCID3014141FAD-286Fadrozole [INN]
Datenbank-Bezeichner
- CAS
102676-47-1- PubChem CID
- 59693
- DTXSID
DTXSID5034141- ChEMBL
CHEMBL9298- ChEBI
CHEBI:94355- UNII
- H3988M64PU
- EC Number
- 862-508-6
- Nikkaji
- J366.696D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 41,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 311
Experimentelle und physikochemische Eigenschaften
Chemical ClassesPharmaceutical
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section157.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4020618]
Physikochemische Eigenschaften
- Schmelzpunkt
- 0 °C · 0°C
- Siedepunkt
- 0 °C · 0°C
- Dichte
- 1.2 · 1.20
- Flammpunkt
- 0 °C · 0°C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 100 mg/mL · DMSO : ≥ 100 mg/mL (447.89 mM)
- Aggregatzustand
- Solid
- pka
- 7.16 · 7.16±0.40(Predicted)
- Farbe
- White to off-white
- EPA chemische Informationen
- 4 · Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)- (102676-47-1)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxikologische Informationen
USGS Health-Based Screening Levels for Evaluating Water-Quality
Fadrozole
Pharmaceutical
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Sicherheitsdaten
- ridadr
- 3439
- risk_code
- 20/21/22
- safety_code
- 22-24/25
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)
Compounds that inhibit AROMATASE in order to reduce production of estrogenic steroid hormones.
Anwendungen
VerwendenAntineoplastic
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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