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Chemical structure of PROTAC PD-1/PD-L1 degrader-1

GC63537

PROTAC PD-1/PD-L1 degrader-1

Also known as 5-[4-[1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]piperidine-2-carbonyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-oxopentanamide

PROTAC PD-1/PD-L1 degrader-1, a PD-1/PD-L1 PROTAC based on Cereblon E3 ligand, inhibits PD-1/PD-L1 interaction with an IC50 of 39·2 nM

ChemicalCAS2447066-37-5MW1076.59FormulaC59H58ClN7O11
CAS number
2447066-37-5
Molecular weight
1076.59
Formula
C59H58ClN7O11
Solubility
DMSO ： 210 mg/mL (195·06 mM; Need ultrasonic)
InChIKey
CJIXMPCTSMEQPG-UHFFFAOYSA-N
Catalogue number
GC63537
Brand
GLPBIO
Computed properties PubChem CID 146673162 · XLogP 6.3 · TPSA 217 Ų · H-bond donors 2
XLogP
6.3
TPSA
217 Ų
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
16
Heavy atoms
78

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)N7CCN(CC7)C(=O)CCCC(=O)NC8=CC=CC9=C8C(=O)N(C9=O)C1CCC(=O)NC1=O)Cl

Computed descriptors from PubChem (CID 146673162), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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