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Chemical structure of PROTAC ERRα Degrader-3

GC62307

PROTAC ERRα Degrader-3

Also known as (2S,4R)-1-[(2S)-2-[5-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

PROTAC ERRα Degrader-3 is a potent and selective ERRα degrader based on von Hippel-Lindau ligand· PROTAC ERRα Degrader-3 is capable of specifically degrading ERRα protein by >80% at a concentration of 30 nM· PROTAC ERRα Degrader-3 is inactive against ERRβ and ERRγ proteins

ChemicalCAS2306388-65-6MW956.99FormulaC47H50F6N6O7S
CAS number
2306388-65-6
Molecular weight
956.99
Formula
C47H50F6N6O7S
Solubility
DMSO ： 80 mg/mL (83·60 mM; Need ultrasonic)
InChIKey
POTUUCUOBIVSIX-BDUCEWPUSA-N
Catalogue number
GC62307
Brand
GLPBIO
Computed properties PubChem CID 155561684 · XLogP 7.5 · TPSA 211 Ų · H-bond donors 4
XLogP
7.5
TPSA
211 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
18
Heavy atoms
67

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)CCCCNC(=O)/C(=C/C4=CC(=C(C=C4)OCC5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)OC)/C#N)O

Computed descriptors from PubChem (CID 155561684), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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