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Chemical structure of PD-1/PD-L1-IN-23

GC64855

PD-1/PD-L1-IN-23

Also known as ethyl (2R)-2-[[2-(2,1,3-benzoxadiazol-5-ylmethoxy)-4-[(2-bromo-3-phenylphenyl)methoxy]-5-chlorophenyl]methylamino]-3-hydroxypropanoate;hydrochloride

PD-1/PD-L1-IN-23 is a potent and orally active inhibitor of PD-1/PD-L1· PD-1/PD-L1-IN-23 is an ester prodrug of L7· L7 is a benzo[c][1,2,5]oxadiazole derivative and biologically evaluated as inhibitors of PD-L1· PD-1/PD-L1-IN-23 displays significant antitumor effects in tumor models of syngeneic and PD-L1 humanized mice

ChemicalCAS2597056-04-5MW703.41FormulaC32H30BrCl2N3O6
CAS number
2597056-04-5
Molecular weight
703.41
Formula
C32H30BrCl2N3O6
Solubility
DMSO ： 250 mg/mL (355·41 mM; Need ultrasonic)
InChIKey
RDOKDKCLEBIFLB-LNLSOMNWSA-N
Catalogue number
GC64855
Brand
GLPBIO
Computed properties PubChem CID 164185614 · TPSA 116 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
116 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
44

SMILES CCOC(=O)[C@@H](CO)NCC1=CC(=C(C=C1OCC2=CC3=NON=C3C=C2)OCC4=C(C(=CC=C4)C5=CC=CC=C5)Br)Cl.Cl

Computed descriptors from PubChem (CID 164185614), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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