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Chemical structure of ONX-0914 (PR-957)

GC15778

ONX-0914 (PR-957)

Also known as (2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2S)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide

ONX-0914 (PR-957) is a specific inhibitor of the immunoproteasome subunits low molecular weight polypeptide 7 (LMP7) and low molecular weight polypeptide 2 (LMP2), with IC50 values of 0·34μM and 0·0057μM, respectively

ChemicalCAS960374-59-8MW580.67FormulaC31H40N4O7
CAS number
960374-59-8
Molecular weight
580.67
Formula
C31H40N4O7
Solubility
≥ 29·0335mg/mL in DMSO, ≥ 69 mg/mL in EtOH
InChIKey
WQAVPPWWLLVGFK-FRDWYVIJSA-N
Catalogue number
GC15778
Brand
GLPBIO
Computed properties PubChem CID 46218908 · XLogP 1.9 · TPSA 139 Ų · H-bond donors 3
XLogP
1.9
TPSA
139 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
42

SMILES C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[C@@]3(CO3)C)NC(=O)CN4CCOCC4

Computed descriptors from PubChem (CID 46218908), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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