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Chemical structure of (1S,3R)-GNE-502

GC65885

(1S,3R)-GNE-502

Also known as (1S,3R)-1-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-methyl-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

(1S,3R)-GNE-502 (compound 179) is a potent ERα degrader with an EC50 value of 13 nM against ERα in MCF7 HCS· (1S,3R)-GNE-502 can be used to research cancer related with estrogen receptor

ChemicalCAS1953134-15-0MW471.59FormulaC25H30FN3O3S
CAS number
1953134-15-0
Molecular weight
471.59
Formula
C25H30FN3O3S
InChIKey
ALLRPIPLWLLBGX-NSYGIPOTSA-N
Catalogue number
GC65885
Brand
GLPBIO
Computed properties PubChem CID 121410755 · XLogP 3.7 · TPSA 74 Ų · H-bond donors 1
XLogP
3.7
TPSA
74 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33

SMILES C[C@@H]1CC2=C([C@@H](N1S(=O)(=O)C)C3=CC=C(C=C3)OCCN4CC(C4)CF)NC5=CC=CC=C25

Computed descriptors from PubChem (CID 121410755), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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