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Lanabecestat (hydrochloride)

CAT: 0804-HY-100740ASize: 1 EachDry Ice: NoHazardous: No
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Description
Lanabecestat (AZD-3293) hydrochloride is a potent BACE1 inhibitor that has been investigated for its potential as a modifying treatment for Alzheimer's disease. Lanabecestat (hydrochloride) demonstrated significant dose- and time-dependent reductions in concentrations of amyloid beta peptides in plasma, cerebrospinal fluid, and brain. Lanabecestat (hydrochloride) was also shown to produce reductions in Aβ neuritic plaque burden without demonstrating clinical benefits or slowing the progression of Alzheimer's disease pathophysiology.
CAS Number
1383986-31-9
Product Name Alternative
AZD-3293 (hydrochloride) ; LY3314814 (hydrochloride)
UNSPSC
12352005
Target
Beta-secretase
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/lanabecestat-hydrochloride.html
Smiles
CC#CC1=CC(C2=CC([C@@]34N=C(C)C(N)=N4)=C(C[C@@]53CC[C@@H](OC)CC5)C=C2)=CN=C1.Cl
Molecular Formula
C26H29ClN4O
Molecular Weight
448.99
References & Citations
[1]Lanabecestat: Neuroimaging results in early symptomatic Alzheimer's disease
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Lanabecestat HCl
CAS Number1383986-31-9
PubChem CID154701347
Molecular FormulaC26H29ClN4O
Molecular Weight449.0
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity827
SMILES
CC#CC1=CC(=CN=C1)C2=CC3=C(CC4(C35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2.Cl
InChI
InChI=1S/C26H28N4O.ClH/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);1H
InChIKey
DMIXDSROGYHPOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lanabecestat HCl
CAS: 1383986-31-9
CID: 154701347
Formula: C26H29ClN4O
MW: 449.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass448.2029893
Monoisotopic Mass448.2029893
Topological Polar Surface Area72.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity827
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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BA8438-10Lanabecestat
A12282-50Lanabecestat 50mg
A12282-5Lanabecestat 5mg
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T70807-01Lanabecestat HCl
A12282-10Lanabecestat 10mg
T25610-01Lanabecestat camsylate
A12282-2Lanabecestat 2mg
A12282-100Lanabecestat 100mg

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