Grundinformationen
- Standard-SMILES
CNc1nc(Nc2ccc(-n3cnc(C)n3)c(OC)c2)nc2c1CCC2c1ccc(F)cc1- InChIKey
NDVMOVOEROCRIO-UHFFFAOYSA-N- Summenformel
- C24H24FN7O
- Durchschnittliche Molmasse
- 445,5 g/mol
Überblick
a gamma-secretase modulator; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine-2,4-diamine
- IUPAC
- 7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
Namen und Synonyme
7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine-2,4-diamineRefChem:914211SCHEMBL513093NDVMOVOEROCRIO-UHFFFAOYSA-N1263865-62-8
Datenbank-Bezeichner
- PubChem CID
- 58075317
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 89,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 636
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents that suppress GAMMA-SECRETASE by inhibiting or modulating its activities. Targeted enzymatic activities include its involvement in accumulation of toxic AMYLOID BETA-PEPTIDES (e.g., Aβ42) in ALZHEIMER DISEASE and activation of NOTCH RECEPTOR mediated SIGNAL PATHWAYS in certain cancer types.
Zugehörige Reaktionen
3
Verknüpfte Notizen
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