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Semagacestat

Semagacestat structure

CAS No:
425386-60-3
Formula:
C19H27N3O4
Chemical Name:
Semagacestat
Synonyms:
Butanamide,2-hydroxy-3-methyl-N-[(1S)-1-methyl-2-oxo-2-[[(1S)-2,3,4,5-tetrahydro-3-methyl-2-oxo-1H-3-benzazepin-1-yl]amino]ethyl]-,(2S)-;(2S)-2-Hydroxy-3-methyl-N-[(1S)-1-methyl-2-oxo-2-[[(1S)-2,3,4,5-tetrahydro-3-methyl-2-oxo-1H-3-benzazepin-1-yl]amino]ethyl]butanamide;LY 450139;Semagacestat;866488-53-1;1644443-23-1
Categories:
Biochemical Engineering > Inhibitors

Description

Semagacestat is a γ-secretase inhibitor, inhibits β-amyloid (Aβ42), Aβ38 and Aβ40 with IC50 of 10.9, 12 and 12.1 nM, respectively; also inhibits Notch signaling with IC50 of 14.1 nM.

(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide is a peptide.|Semagacestat has been used in trials studying the treatment of Alzheimer Disease.

Semagacestat Basic Attributes

Molecular Weight：

361.44

Exact Mass：

361.44

EC Number：

1592732-453-0

UNII：

3YN0602W4W

DSSTox ID：

DTXSID10235740

HScode：

29337900

Characteristics

PSA：

98.7

XLogP3：

1.3

Density：

1.2±0.1 g/cm3

Melting Point：

208-212 °C

Boiling Point：

681.904°C at 760 mmHg

Flash Point：

366.2℃

Refractive Index：

1.576

Drug Information

MeSH Entry Terms：

LY 411,575

Semagacestat Use and Manufacturing

Semagacestat is an inhibitor of the γ-secretase enzyme. γ-Secretase enzyme is pivotal in the generation of β-amyloid (Aβ), a neurotoxic endogenous peptide believed to be involved in the pathogenesis of Alzheimer's disease (AD).

Computed Properties

Molecular Weight:361.4
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:361.20015635
Monoisotopic Mass:361.20015635
Topological Polar Surface Area:98.7
Heavy Atom Count:26
Complexity:537
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Semagacestat(LY450139)

CAS No.: 425386-60-3

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