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LY2811376

LY2811376 structure

CAS No:
1194044-20-6
Formula:
C15H14F2N4S
Chemical Name:
LY2811376
Synonyms:
LY2811376;(4S)-4-[2,4-Difluoro-5-(5-pyrimidinyl)phenyl]-5,6-dihydro-4-methyl-4H-1,3-thiazin-2-amine;LY 2811376,(4S)-4-[2,4-Difluoro-5-(5-pyriMidinyl)phenyl]-5,6-dihydro-4-Methyl-4H-1,3-thiazin-2-aMine;(S)-4-(2,4-difluoro-5-(pyriMidin-5-yl)phenyl)-4-Methyl-5,6-dihydro-4H-1,3-thiazin-2-aMine;(4S)-4-(2,4-difluoro-5-pyriMidin-5-ylphenyl)-4-Methyl-5,6-dihydro-1,3-thiazin-2-aMine;N-Hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide hydrochloride Tubastatin A HClLY2811376;LY2811376, >=98%
Categories:
Biochemical Engineering > Inhibitors

Description

LY2811376 is the first orally available non-peptidic β-secretase (BACE1) inhibitor with IC50 of 239 nM-249 nM, that acts to decrease Aβ secretion with EC50 of 300 nM, and demonstrates 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.

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

LY2811376 Basic Attributes

Molecular Weight：

320.3602664

Exact Mass：

320.090729

EC Number：

-0

UNII：

UR18YJ97SJ

DSSTox ID：

DTXSID10658051

HScode：

2934999090

Characteristics

PSA：

89.5

XLogP3：

2.1

Density：

1.42

Boiling Point：

486.5±55.0 °C(Predicted)

Flash Point：

248.0±31.5 °C

Refractive Index：

1.662

Drug Information

MeSH Entry Terms：

(S)-4-(2,4-difluoro-5-pyrimidin-5-yl-phenyl)-4-methyl-5,6-dihydro-4H-(1,3)thiazin-2-ylamine

Computed Properties

Molecular Weight:320.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:320.09072396
Monoisotopic Mass:320.09072396
Topological Polar Surface Area:89.5
Heavy Atom Count:22
Complexity:430
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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LY2811376

CAS No.: 1194044-20-6

Content: 0.98%

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