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Chemical structure of Umibecestat

GC65361

Umibecestat

Also known as N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide

Umibecestat (CNP520) is a beta-site amyloid precursor protein cleaving enzyme-1 (BACE-1) inhibitor with IC50s of 11 nM and 10 nM for human BACE-1 and mouse BACE-1, respectively

ChemicalCAS1387560-01-1MW513.8FormulaC19H15ClF7N5O2
CAS number
1387560-01-1
Molecular weight
513.8
Formula
C19H15ClF7N5O2
Solubility
DMSO ： 100 mg/mL (194·63 mM; Need ultrasonic)
InChIKey
PSBBWFNMHDUTRH-DLBZAZTESA-N
Catalogue number
GC65361
Brand
GLPBIO
Computed properties PubChem CID 88602735 · XLogP 2.9 · TPSA 102 Ų · H-bond donors 2
XLogP
2.9
TPSA
102 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
3
Heavy atoms
34

SMILES C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)C2=C(C=CC(=N2)NC(=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)F

Computed descriptors from PubChem (CID 88602735), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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