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Chemical structure of PBT434

GC70495

PBT434

Also known as 5,7-dichloro-2-(ethylaminomethyl)-8-hydroxy-3-methylquinazolin-4-one;hydrobromide

PBT434 is a potent, orally active and cross the blood-brain barrier α-synuclein aggregation inhibitor

ChemicalCAS1232841-78-9MW383.07FormulaC12H14BrCl2N3O2
CAS number
1232841-78-9
Molecular weight
383.07
Formula
C12H14BrCl2N3O2
InChIKey
WNTSHYWJAPIRQE-UHFFFAOYSA-N
Catalogue number
GC70495
Brand
GLPBIO
Computed properties PubChem CID 154824616 · TPSA 64.9 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
64.9 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20

SMILES CCNCC1=NC2=C(C(=CC(=C2O)Cl)Cl)C(=O)N1C.Br

Computed descriptors from PubChem (CID 154824616), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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