PD-L1-IN-3

• CAT Number: I040823
• CAS Number: 2953044-29-4
• Molecular Formula: C19H16ClFN2OS
• Molecular Weight: 374.86
• Purity: ≥95%
• Synonyms: 2-[[4-(aminomethyl)phenyl]methoxy]-4-(4-fluorophenyl)thiophene-3-carbonitrile;hydrochloride
• InChI: InChI=1S/C19H15FN2OS.ClH/c20-16-7-5-15(6-8-16)18-12-24-19(17(18)10-22)23-11-14-3-1-13(9-21)2-4-14;/h1-8,12H,9,11,21H2;1H
• InChIKey: ARPPMPJCLFWQEY-UHFFFAOYSA-N
• SMILES: C1=CC(=CC=C1CN)COC2=C(C(=CS2)C3=CC=C(C=C3)F)C#N.Cl

PD-L1-IN-3 (Compound 4a) is a compound that targets PD-1/PD-L1, the IC50 value and EC50 value is 4.97nM and 2.70 μM for inhibit PD-L1 and Jurkat T cells, respectively. PD-L1-IN-3 can bind PD-L1 dimer to prevent PD-1 binding to PD-L1, therefore blocking PD-1 signaling. PD-L1-IN-3 can be used for lung cancer and melanoma diseases research[1].
PD-L1-IN-3 (Compound 4a) (0.01-100 μM, 40 min) disrupts the binding between PD-1 and PD-L1 and enhances a TCR-mediated activation of the Jurkat cells[1].
PD-L1-IN-3 (0.01-100 μM, 40 min) has higher uptake which correlated with PD-L1 expression in PD-L1+ H358 tumors[1].

Reference

[1]. Ważyńska MA, et al. Design, Synthesis, and Biological Evaluation of 2-Hydroxy-4-phenylthiophene-3-carbonitrile as PD-L1 Antagonist and Its Comparison to Available Small Molecular PD-L1 Inhibitors. J Med Chem. 2023 Jul 27;66(14):9577-9591.
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