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Chemical structure of MS432

GC64292

MS432

Also known as (2S,4R)-1-[(2S)-2-[11-[3-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxypropylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

MS432 is a first-in-class and highly selective PD0325901-based von Hippel-Lindau-recruiting PROTAC degrader for MEK1 and MEK2· MS432 displays good plasma exposure in mice, exhibiting DC50 values of 31 nM and 17 nM for MEK1, MEK2 in HT29 cells respectively

ChemicalCAS2672512-44-4MW1076.06FormulaC50H65F3IN7O6S
CAS number
2672512-44-4
Molecular weight
1076.06
Formula
C50H65F3IN7O6S
Solubility
DMSO ： 260 mg/mL (241·62 mM; Need ultrasonic)
InChIKey
KCBAMQOKOLXLOX-BSZYMOERSA-N
Catalogue number
GC64292
Brand
GLPBIO
Computed properties PubChem CID 145712394 · XLogP 10.4 · TPSA 202 Ų · H-bond donors 6
XLogP
10.4
TPSA
202 Ų
H-bond donors
6
H-bond acceptors
13
Rotatable bonds
26
Heavy atoms
68

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNCCCONC(=O)C4=C(C(=C(C=C4)F)F)NC5=C(C=C(C=C5)I)F)O

Computed descriptors from PubChem (CID 145712394), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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