2983098-90-2
Chemical Structure
PD-1/PD-L1-IN-61
- CAS No.: 2983098-90-2
- Formula:C42H44N6O9
- Molecular Weight:776.83
InChIKey: RRVLTFNBZUEAJA-DIBXXCFASA-N
SMILES: OC(CC1)CCN1CC(O2)=NN=C2C3=C(C)C(C4=CC=CC(COC5=C([N+]([O-])=O)C=C(CN[C@@H](C(C)O)C(O)=O)C(OCC6=CC(C#N)=CC=C6)=C5)=C4C)=CC=C3
Biological Activity: PD-1/PD-L1-IN-61 is a PD-1/PD-L1 interaction inhibitor with a human IC50 of 5.3 nM. PD-1/PD-L1-IN-61 embeds into the hydrophobic pocket at the PD-L1 dimer interface, stabilizing binding through hydrogen bonds and π-π stacking with PD-L1 residues. PD-1/PD-L1-IN-61 acts as an immune activator, enhances immune-killing activity of peripheral blood mononuclear cells against cancer cells, restores T-cell immune function, and promotes IFN-γ secretion. PD-1/PD-L1-IN-61 can be used for the research of triple-negative breast cancer[1].
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PD-1/PD-L1-IN-61 | PD-1/PD-L1-IN-61 is a PD-1/PD-L1 interaction inhibitor with a human IC50 of 5.3 nM. PD-1/PD-L1-IN-61 embeds into the hydrophobic pocket at the PD-L1 dimer interface, stabilizing binding through hydrogen bonds and π-π stacking with PD-L1 residues. PD-1/PD-L1-IN-61 acts as an immune activator, enhances immune-killing activity of peripheral blood mononuclear cells against cancer cells, restores T-cell immune function, and promotes IFN-γ secretion. PD-1/PD-L1-IN-61 can be used for the research of triple-negative breast cancer. | |||||||||||||||||||||
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