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Chemical structure of VP3·15 dihydrobromide

GC37924

VP3·15 dihydrobromide

Also known as N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine;dihydrobromide

VP3·15 dihydrobromide is a potent, orally bioavailable and CNS-penetrant dual phosphodiesterase (PDE)7- glycogen synthase kinase (GSK)3 inhibitor, with IC50s of 1·59 μM and 0·88 μM for PDE7 and GSK-3, respectively

ChemicalCAS1281681-33-1MW528.3FormulaC20H24Br2N4OS
CAS number
1281681-33-1
Molecular weight
528.3
Formula
C20H24Br2N4OS
Solubility
DMSO: 62·5 mg/mL (118·30 mM)
InChIKey
CAJZOXQDSKOPBU-UHFFFAOYSA-N
Catalogue number
GC37924
Brand
GLPBIO
Computed properties PubChem CID 57326492 · TPSA 65.7 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
65.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

SMILES C1COCCN1CCN=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4.Br.Br

Computed descriptors from PubChem (CID 57326492), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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