PD-1-IN-24

• CAT Number: I044530
• CAS Number: 2360909-50-6
• Molecular Formula: C27H26F3NO3
• Molecular Weight: 469.50
• Purity: ≥95%
• Synonyms: (2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
• InChI: InChI=1S/C27H26F3NO3/c1-18-20(9-6-10-23(18)21-7-4-3-5-8-21)12-13-22-15-19(11-14-24(22)27(28,29)30)16-31-26(2,17-32)25(33)34/h3-15,31-32H,16-17H2,1-2H3,(H,33,34)/b13-12+/t26-/m0/s1
• InChIKey: ITARRJJJADSSAW-JYSHFMIGSA-N
• SMILES: CC1=C(C=CC=C1C2=CC=CC=C2)C=CC3=C(C=CC(=C3)CNC(C)(CO)C(=O)O)C(F)(F)F

PD-1-IN-24 (compound 1) is an orally active PD-1 inhibitor[1].
PD-1-IN-24 (compound 1, 15mg/kg, PO, BID) exhibits TGI(%) of 19.96% in the subcutaneous 4T1 murine breast cancer model in BALB/c mice[1].
PD-1-IN-24 (compound 1, 15mg/kg, PO, BID) dose-dependently inhibits tumor growth in the Bl6F10 models with TGI% of 35.59% (30 mg/kg), 38.87% (60 mg/kg) and 47.35% (120 mg/kg), respectively[1].

Reference

[1]. Wang, Yuguang, et al. Combination of small molecule inhibitor of the PD-1/PD-L1 interaction and anti-PD-1 antibody for treatment of cancer. Patent WO 2021052386.