Grundinformationen
- Standard-SMILES
CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1- InChIKey
UJHBVMHOBZBWMX-UHFFFAOYSA-N- Summenformel
- C15H22N2O2
- Durchschnittliche Molmasse
- 262,35 g/mol
Überblick
Ferrostatin-1 is an ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals. It has a role as a ferroptosis inhibitor, an antioxidant, an antifungal agent, a radical scavenger, a neuroprotective agent and a radiation protective agent. It is an ethyl ester, a substituted aniline and a primary arylamine.
Namen und Bezeichner
- Bevorzugter Name
- Ferrostatin-1
- IUPAC
- ethyl 3-amino-4-(cyclohexylamino)benzoate
- Englischer Name
- Ferrostatin-1 (Fer-1)
- Summenformel
- C15H22N2O2
- Molmasse
- 262.35
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
347174-05-4- PubChem CID
- 4068248
- ChEMBL
CHEMBL3633556- ChEBI
CHEBI:173086- EC Number
- 803-483-3
- Nikkaji
- J1.937.012G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 64,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 290
Physikochemische Eigenschaften
- Siedepunkt
- 437.3 · 437.3±35.0 °C(Predicted)
- Dichte
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 10 mg/mL, · DMSO: soluble10mg/mL, clear
- pka
- 4.78 · 4.78±0.11(Predicted)
- Aggregatzustand
- powder
- Farbe
- purple to brown
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month.
- InChI
- InChI=1S/C15H22N2O2/c1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h8-10,12,17H,2-7,16H2,1H3
- InChIKey
- UJHBVMHOBZBWMX-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C1=CC=C(NC2CCCCC2)C(N)=C1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2922498590
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenFerrostatin-1 (Fer-1) is a potent and selective inhibitor of ferroptosis.
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