BACE1-IN-1

Modify Date: 2026-07-12 13:09:54

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

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name BACE1-IN-1

 BACE1-IN-1 Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

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

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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

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This table contains target information, in‑vitro & in‑vivo assay data for this compound.

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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 BACE1-IN-1 | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the InChIKey of BACE1-IN-1?
A: InChIKey of BACE1-IN-1 is DVMUZHLUMHPCGZ-QGZVFWFLSA-N.
Q: What are the storage conditions for BACE1-IN-1?
A: Storage conditions for BACE1-IN-1: 2-8℃.
Q: What is the English name of BACE1-IN-1?
A: The English name of BACE1-IN-1 is BACE1-IN-1.
Q: What is the Chinese name of 1310347-50-2?
A: Chinese name of 1310347-50-2 is BACE1-IN-1.
Q: What are the uses of BACE1-IN-1?
A: Main uses 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.
Q: What is the molecular formula of BACE1-IN-1?
A: Molecular formula of BACE1-IN-1 is C18H14F3N5O2.
Q: What is the SMILES notation of BACE1-IN-1?
A: SMILES notation of BACE1-IN-1 is CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OCC1(F)F.
Q: What is the molecular weight of BACE1-IN-1?
A: Molecular weight of BACE1-IN-1 is 389.33.
Q: What is the CAS number of BACE1-IN-1?
A: CAS number of BACE1-IN-1 is 1310347-50-2.

 BACE1-IN-1factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
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