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Chemical structure of MSN-125

GC61096

MSN-125

Also known as N-[(2S)-1-[[(2R,3S)-2-(aminomethyl)-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1-benzofuran-3-yl]-[(4-bromophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

MSN-125 is a potent Bax and Bak oligomerization inhibitor· MSN-125 prevents mitochondrial outer membrane permeabilization (MOMP) with an IC50 of 4 μM· MSN-125 potently inhibits Bax/Bak-mediated apoptosis in HCT-116, BMK Cells, and primary cortical neurons, protects primary neurons against glutamate excitotoxicity

ChemicalCAS1592908-16-1MW688.61FormulaC36H38BrN3O6
CAS number
1592908-16-1
Molecular weight
688.61
Formula
C36H38BrN3O6
InChIKey
NUPXNNVRTSEHSR-IGOOQNSHSA-N
Catalogue number
GC61096
Brand
GLPBIO
Computed properties PubChem CID 146014431 · XLogP 5.1 · TPSA 112 Ų · H-bond donors 2
XLogP
5.1
TPSA
112 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
15
Heavy atoms
46

SMILES COCCOCOC1=CC2=C(C=C1)[C@@H]([C@H](O2)CN)N(CC3=CC=C(C=C3)Br)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Computed descriptors from PubChem (CID 146014431), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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