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Chemical structure of PD-1/PD-L1-IN-10

GC62125

PD-1/PD-L1-IN-10

Also known as (2S)-2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]-5-nitrophenyl]methylamino]-3-hydroxybutanoic acid

PD-1/PD-L1-IN-10 (compound B2) is an orally active PD-1/PD-L1 inhibitor (IC50 of 2·7 nM) with potent anticancer efficacy

ChemicalCAS2487550-41-2MW581.62FormulaC33H31N3O7
CAS number
2487550-41-2
Molecular weight
581.62
Formula
C33H31N3O7
Solubility
DMSO ： 100 mg/mL (171·93 mM; Need ultrasonic)
InChIKey
KDEQMCUCWNLUJE-LKYSYNKGSA-N
Catalogue number
GC62125
Brand
GLPBIO
Computed properties PubChem CID 156599565 · XLogP 2.9 · TPSA 158 Ų · H-bond donors 3
XLogP
2.9
TPSA
158 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
43

SMILES CC1=C(C=CC=C1C2=CC=CC=C2)COC3=C(C=C(C(=C3)OCC4=CC(=CC=C4)C#N)CN[C@@H](C(C)O)C(=O)O)[N+](=O)[O-]

Computed descriptors from PubChem (CID 156599565), 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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