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Chemical structure of PF 3084014 hydrobromide

GC50251

PF 3084014 hydrobromide

Also known as (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide

PF 3084014 hydrobromide is a highly potent and selective γ-secretase inhibitor belonging to the azacycle compound class, with an IC₅₀ of 1·2nM

ChemicalCAS1962925-29-6MW651.47FormulaC27H41F2N5O·2HBr
CAS number
1962925-29-6
Molecular weight
651.47
Formula
C27H41F2N5O·2HBr
Solubility
Soluble in DMSO
InChIKey
LXEYYZYDWLAIPW-KBVFCZPLSA-N
Catalogue number
GC50251
Brand
GLPBIO
Computed properties PubChem CID 121513889 · TPSA 71 Ų · H-bond donors 5 · H-bond acceptors 6
TPSA
71 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
37

SMILES CCC[C@@H](C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)N[C@H]2CCC3=C(C2)C(=CC(=C3)F)F.Br.Br

Computed descriptors from PubChem (CID 121513889), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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