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Chemical structure of PROTAC_ERRα

GC75336

PROTAC_ERRα

Also known as (2S,4R)-1-[(2S)-2-[3-[2-[(5Z)-5-[[4-[4-cyano-2-(trifluoromethyl)phenoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

PROTAC_ERRα is a potent and selective ERRα PROTAC degrader (DC50: 100 nM in MCF-7 cells)

ChemicalCAS1801547-15-8MW949.03FormulaC46H47F3N6O9S2
CAS number
1801547-15-8
Molecular weight
949.03
Formula
C46H47F3N6O9S2
Solubility
DMSO： 125 mg/mL (131·71 mM; Need ultrasonic)
InChIKey
IIJORMBEWMYDEN-FRKKMCEPSA-N
Catalogue number
GC75336
Brand
GLPBIO
Computed properties PubChem CID 91799292 · XLogP 6.4 · TPSA 254 Ų · H-bond donors 3
XLogP
6.4
TPSA
254 Ų
H-bond donors
3
H-bond acceptors
16
Rotatable bonds
17
Heavy atoms
66

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCN4C(=O)/C(=C/C5=CC(=C(C=C5)OC6=C(C=C(C=C6)C#N)C(F)(F)F)OC)/SC4=O)O

Computed descriptors from PubChem (CID 91799292), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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