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Lanabecestat

CAT: 1410-M11593-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M11593-02Size:50 mg
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Description
Lanabecestat (AZD-3293, LY-3314814) is a potent, orally active and brain-permeable BACE1 inhibitor with Ki of 0.4 nM.
CAS Number
1383982-64-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
412.537
Molecular Formula
C26H28N4O
Notes
Research use only, not for human use.
Receptor
BACE

Chemical Information

Lanabecestat

Lanabecestat is under investigation in clinical trial NCT03499041 (A Study of LY3314814 in Participants With Liver Impairment).

CAS Number1383982-64-6
PubChem CID67979346
Molecular FormulaC26H28N4O
Molecular Weight412.5
XLogP3
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity827
SMILES
CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@]35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2
InChI
InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1
InChIKey
WKDNQONLGXOZRG-BOPKNSRXSA-N
Chemical Structure
2D Structure
2D structure of Lanabecestat
CAS: 1383982-64-6
CID: 67979346
Formula: C26H28N4O
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass412.22631153
Monoisotopic Mass412.22631153
Topological Polar Surface Area72.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity827
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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