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Chemical structure of MS8815

GC69504

MS8815

Also known as (2S,4R)-1-[(2S)-2-[[9-[4-[[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylphenyl]phenyl]methyl]piperazin-1-yl]-9-oxononanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

MS8815 is a selective PROTAC degrader of zeste homolog 2 (EZH2)· It has inhibitory activity against EZH2 with an IC50 value of 8·6 nM· MS8815 can be used for research on triple-negative breast cancer (TNBC)

ChemicalCAS2855085-25-3MW1154.51FormulaC65H87N9O8S
CAS number
2855085-25-3
Molecular weight
1154.51
Formula
C65H87N9O8S
Solubility
DMSO ： 120 mg/mL (103·94 mM; Need ultrasonic)
InChIKey
AOIZISCRIVNZJJ-XWJFFXCMSA-N
Catalogue number
GC69504
Brand
GLPBIO
Computed properties PubChem CID 165368931 · XLogP 8.1 · TPSA 234 Ų · H-bond donors 5
XLogP
8.1
TPSA
234 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
24
Heavy atoms
83

SMILES CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCN(CC5)C(=O)CCCCCCCC(=O)N[C@H](C(=O)N6C[C@@H](C[C@H]6C(=O)NCC7=CC=C(C=C7)C8=C(N=CS8)C)O)C(C)(C)C

Computed descriptors from PubChem (CID 165368931), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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