Semagacestat

CAT: 0013-GTR19171720-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0013-GTR19171720-02Size:1 ml x 10 mM (in DMSO)

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Description

Semagacestat (LY450139) is a potent γ-secretase inhibitor that reduces Aβ peptide production (Aβ42/Aβ40/Aβ38) and inhibits Notch signaling with nanomolar IC50 values. It has been utilized in both in vitro and in vivo research models to investigate Alzheimer's disease pathology and Notch-related cellular processes.

CAS Number

425386-60-3

Product Name Alternative

BetaAmyloid, Beta Amyloid, Amyloid-β, bAmyloid, b Amyloid, Abeta, LY 450139, LY450139, LY-450139, inhibit, Inhibitor, Notch, Gammasecretase, Gamma secretase, Semagacestat, β Amyloid, βAmyloid, β-amyloid peptide, γ secretase (Aβ42), γ secretase (Aβ38), γ secretase (Aβ40), γ-secretase

Field of Research

Neuroscience, Protein Biochemistry, Stem Cell & Developmental Biology

Purity

97.10% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:2.5 mg/mL (6.92 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:67 mg/mL (185.37 mM) ; Ethanol:39 mg/mL (107.9 mM)

Smiles

CC (C) [C@H] (O) C (=O) N[C@@H] (C) C (=O) N[C@H]1c2ccccc2CCN (C) C1=O

Molecular Formula

C19H27N3O4

Molecular Weight

361.44

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Semagacestat

(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.

CAS Number	425386-60-3
PubChem CID	9843750
IUPAC Name	(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
Molecular Formula	C19H27N3O4
Molecular Weight	361.4
XLogP	1.3
Topological Polar Surface Area	98.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	537

SMILES

C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O

InChI

InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1

InChIKey

PKXWXXPNHIWQHW-RCBQFDQVSA-N

Chemical Structure

2D Structure

CAS: 425386-60-3

CID: 9843750

Formula: C19H27N3O4

MW: 361.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
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 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	537
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-10009-01	Semagacestat
MBS8506425-01	Semagacestat (LY450139)
A10836-100	Semagacestat 100mg
A10836-5	Semagacestat 5mg
A10836-50	Semagacestat 50mg
A10836-10	Semagacestat 10mg

Semagacestat

Chemical Information

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