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Chemical structure of VU6001221

GB40407

VU6001221

Also known as 4-chloro-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

VU6001221 is a choline transporter (CHT) inhibitor (IC50 value of 270 nM) with comparable potency for choline uptake inhibition as ML352, yet improved PK and CNS penetration· For the first time, VU6001221 allowed evaluation of a CHT inhibitor in a standard preclinical rodent cognition model, namely novel object recognition (NOR)

ChemicalCAS2002495-17-0MW391.89FormulaC20H26ClN3O3
CAS number
2002495-17-0
Molecular weight
391.89
Formula
C20H26ClN3O3
InChIKey
IMOCLELOJXGLLE-UHFFFAOYSA-N
Catalogue number
GB40407
Brand
GLPBIO
Computed properties PubChem CID 129909861 · XLogP 3.5 · TPSA 67.6 Ų · H-bond donors 1
XLogP
3.5
TPSA
67.6 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

SMILES CC(C)C1=NOC(=C1)CNC(=O)C2=CC(=C(C=C2)Cl)OC3CCN(CC3)C

Computed descriptors from PubChem (CID 129909861), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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