BACE1-IN-1

Modify Date: 2025-08-29 06:09:45

BACE1-IN-1 Structure
BACE1-IN-1 structure
Common Name BACE1-IN-1
CAS Number 1310347-50-2 Molecular Weight 389.33
Density N/A Boiling Point N/A
Molecular Formula C18H14F3N5O2 Melting Point N/A
MSDS N/A Flash Point N/A

 Use of BACE1-IN-1


BACE1-IN-1 is a potent and highly brain penetrant BACE1 inhibitor with IC50s of 32 and 47 nM for human BACE1 and BACE2, respectively.

 Names

Name BACE1-IN-1

 BACE1-IN-1 Biological Activity

Description BACE1-IN-1 is a potent and highly brain penetrant BACE1 inhibitor with IC50s of 32 and 47 nM for human BACE1 and BACE2, respectively.
Related Catalog
Target

IC50: 32 nM (human BACE1), 47 nM (human BACE2)[1]

References

[1]. Hilpert H, et al. β-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease. J Med Chem. 2013 May 23;56(10):3980-95.

 Chemical & Physical Properties

Molecular Formula C18H14F3N5O2
Molecular Weight 389.33
InChIKey DVMUZHLUMHPCGZ-QGZVFWFLSA-N
SMILES CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OCC1(F)F
Storage condition 2-8℃

 BACE1-IN-1Bioassay

View more

Name: Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to...
Source: ChEMBL
Target: Beta-secretase 2
External Id: CHEMBL2353184
Name: Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to...
Source: ChEMBL
Target: Beta-secretase 1
External Id: CHEMBL2353183
Name: Half life in C57B1/6NJ mouse at 10 mg/kg, po
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL2353187
Name: Oral bioavailability in C57B1/6NJ mouse at 10 mg/kg
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL2353186
Name: Volume of distribution at steady state in C57B1/6NJ mouse at 10 mg/kg, po
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL2353185
Name: Selectivity ratio of IC50 for human BACE1 to IC50 for BACE1 in HEK293 cells
Source: ChEMBL
Target: Beta-secretase 1
External Id: CHEMBL2350617
Name: Reduction of amyloid beta40 level in C57B1/6J mouse brain at 30 mg/kg, po after 4 hrs...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL2350616
Name: Selectivity ratio of IC50 for human BACE2 to IC50 for human BACE1
Source: ChEMBL
Target: N/A
External Id: CHEMBL2350615
Name: Reduction of amyloid beta40 level in C57B1/6J mouse brain at 10 mg/kg, po after 4 hrs...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL2350614
Name: Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as ...
Source: ChEMBL
Target: Beta-secretase 1
External Id: CHEMBL2350618
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