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Chemical structure of BACE-IN-1

GC31260

BACE-IN-1

Also known as 6-chloro-N-(6-phenylmethoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide

BACE-IN-1 (Compound 13) is a substituted lmidazo[1 ,2-a]pyridine derivative which can inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment of diseases in which BACE is involved, such as Alzheimer's disease

ChemicalCAS1254166-60-3MW417.85FormulaC22H16ClN5O2
CAS number
1254166-60-3
Molecular weight
417.85
Formula
C22H16ClN5O2
Solubility
Soluble in DMSO
InChIKey
XJBUEKXIUDQBPI-UHFFFAOYSA-N
Catalogue number
GC31260
Brand
GLPBIO
Computed properties PubChem CID 67289515 · XLogP 4.9 · TPSA 84.3 Ų · H-bond donors 2
XLogP
4.9
TPSA
84.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30

SMILES C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=C(N3)NC(=O)C4=CN5C=C(C=CC5=N4)Cl

Computed descriptors from PubChem (CID 67289515), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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