PD-1/PD-L1-IN-9 hydrochloride

• CAT Number: I042371
• Molecular Formula: C22H25ClN2O2
• Molecular Weight: 384.90
• Purity: ≥95%
• Synonyms: 2-[[2-methoxy-6-(2-methyl-3-phenylphenyl)pyridin-3-yl]methylamino]ethanol;hydrochloride
• InChI: InChI=1S/C22H24N2O2.ClH/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)21-12-11-18(15-23-13-14-25)22(24-21)26-2;/h3-12,23,25H,13-15H2,1-2H3;1H
• InChIKey: KXEWBOPJWFJJFD-UHFFFAOYSA-N
• SMILES: CC1=C(C=CC=C1C2=NC(=C(C=C2)CNCCO)OC)C3=CC=CC=C3.Cl

PD-1/PD-L1-IN-9 hydrochloride is a potent and orally active inhibitor of PD-1/PD-L1 interaction, with an IC50 of 3.8 nM. PD-1/PD-L1-IN-9 hydrochloride can enhance the killing activity of tumor cells by immune cells. PD-1/PD-L1-IN-9 hydrochloride also exhibits significant in vivo antitumor activity in a CT26 mouse model[1].
PD-1/PD-L1-IN-9 hydrochloride (compound 24) (46.9-1500 nM; pretreated for 2 h) dose-dependently significantly activates the antitumor immunity of peripheral blood mononuclear cells (PBMCs) to MDB-MB 231 cells, with an EC50 of ∼100 nM[1].
PD-1/PD-L1-IN-9 hydrochloride (compound 24) (40-80 mg/kg; p.o.; once a day for 2 weeks) inhibits tumor growth in a dose-dependent manner and does not cause any body weight loss or mortality of mice[1].
PD-1/PD-L1-IN-9 hydrochloride (3 mg/kg; i.v.; single dose) exhibits half-life (T1/2=4.2 h), plasma clearance (Cl=11.5 L/h/kg) and Cmax (1233 ng/mL) in rats[1].
PD-1/PD-L1-IN-9 hydrochloride (25 mg/kg; p.o.; single dose) exhibits moderate oral bioavailability (F=22 %), half-life (t1/2=6.4 h) and Cmax (192 ng/mL) in rats[1].

Reference

[1]. Wang T, et, al. Novel Biphenyl Pyridines as Potent Small-Molecule Inhibitors Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction. J Med Chem. 2021 May 30.
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