PD-1/PD-L1-IN-13

• CAT Number: I044153
• CAS Number: 2865841-81-0
• Molecular Formula: C36H34ClF2N3O9
• Molecular Weight: 726.12
• Purity: ≥95%
• Synonyms: 4-[[4-chloro-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-difluoromethoxy]-2-[[[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]methyl]phenoxy]methyl]pyridine-2-carbonitrile
• InChI: InChI=1S/C36H34ClF2N3O9/c1-19-24(21-5-6-27-30(13-21)48-10-9-47-27)3-2-4-25(19)36(38,39)51-29-14-28(49-18-20-7-8-41-23(11-20)15-40)22(12-26(29)37)16-42-32-34(45)33(44)31(17-43)50-35(32)46/h2-8,11-14,31-35,42-46H,9-10,16-18H2,1H3/t31-,32+,33-,34-,35?/m1/s1
• InChIKey: TUOSAPKOJRLJAP-JZFXKNFZSA-N
• SMILES: CC1=C(C=CC=C1C(OC2=C(C=C(C(=C2)OCC3=CC(=NC=C3)C#N)CNC4C(C(C(OC4O)CO)O)O)Cl)(F)F)C5=CC6=C(C=C5)OCCO6

PD-1/PD-L1-IN-13 (Compound 43) is a potent immune checkpoint PD-1/PD-L1 inhibitor with an IC50 value of 10.2 nM. PD-1/PD-L1-IN-13 promots CD8+ T cell activation and delays the tumor growth in the Hepa1-6 syngeneic mouse model[1].

Reference

[1]. Song Z, et al. Design, Synthesis, and Pharmacological Evaluation of Biaryl-Containing PD-1/PD-L1 Interaction Inhibitors Bearing a Unique Difluoromethyleneoxy Linkage. J Med Chem. 2021;64(22):16687-16702.
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