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Chemical structure of BMS-1166-N-piperidine-COOH

GC63536

BMS-1166-N-piperidine-COOH

Also known as 1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]piperidine-2-carboxylic acid

BMS-1166-N-piperidine-COOH, the BMS-1166-based moiety, binds to E3 ligase ligand via a linker to form PROTAC PD-1/PD-L1 degrader-1 to degrade PD-1/PD-L1· BMS-1166 is a potent PD-1/PD-L1 interaction inhibitor with an IC50 of 1·4 nM· BMS-1166 antagonizes the inhibitory effect of PD-1/PD-L1 immune checkpoint on T cell activation

ChemicalCAS2447066-00-2MW639.14FormulaC37H35ClN2O6
CAS number
2447066-00-2
Molecular weight
639.14
Formula
C37H35ClN2O6
InChIKey
RELGDHKISWTSBN-UHFFFAOYSA-N
Catalogue number
GC63536
Brand
GLPBIO
Computed properties PubChem CID 118434619 · XLogP 4.9 · TPSA 101 Ų · H-bond donors 1
XLogP
4.9
TPSA
101 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
46

SMILES CC1=C(C=CC=C1C2=CC3=C(C=C2)OCCO3)COC4=C(C=C(C(=C4)OCC5=CC(=CC=C5)C#N)CN6CCCCC6C(=O)O)Cl

Computed descriptors from PubChem (CID 118434619), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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