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LY2811376

CAT: 1568-C16370-01Size: 10 mM / 1 mLDry Ice: YesHazardous: No
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CAT#:1568-C16370-01Size:10 mM / 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1194044-20-6
SKU
C16370-10mg
Target
BACE
Applications
Neuronal Signaling
Smiles
CC1 (CCSC (=N1) N) C2=C (C=C (C (=C2) C3=CN=CN=C3) F) F
Molecular Formula
C15H14F2N4S
Additionnal Information
LY2811376 is the first orally available non-peptidic β-secretase (BACE1) inhibitor with IC50 of 239 nM-249 nM, that act to decrease Aβ secretion with EC50 of 300 nM, demonstrated to have 10-fold selectivity towards BACE1 over BACE2, and more than 50-fold inhibition over other aspartic proteases including cathepsin D, pepsin, or renin. Phase 1.
Storage Conditions
2 years -80 in solvent

Chemical Information

Ly-2811376

LY2811376 has been used in trials studying the basic science of Alzheimer's Disease.

CAS Number1194044-20-6
PubChem CID44251605
IUPAC Name(4S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
Molecular FormulaC15H14F2N4S
Molecular Weight320.4
XLogP2.1
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity430
SMILES
C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F
InChI
InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1
InChIKey
MJQMRGWYPNIERM-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Ly-2811376
CAS: 1194044-20-6
CID: 44251605
Formula: C15H14F2N4S
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass320.09072396
Monoisotopic Mass320.09072396
Topological Polar Surface Area89.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity430
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

Alternative Products

CatalogName
T2639-01LY2811376
A11776-100LY2811376 100mg
A11776-2LY2811376 2mg
A11776-1LY2811376 1mg
A11776-50LY2811376 50mg
A11776-5LY2811376 5mg
A11776-25LY2811376 25mg
A11776-10LY2811376 10mg

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