1629654-95-0
Chemical Structure
PD-1/PD-L1-IN 3
- CAS No.: 1629654-95-0
- Formula:C89H126N24O18S
- Molecular Weight:1852.17
IUPAC Name: (3S,6S,12S,15S,18S,21S,24S,27S,30R,36S,39S,42S,47aS)-3-((1H-imidazol-5-yl)methyl)-12,18-bis((1H-indol-3-yl)methyl)-N,42-bis(2-amino-2-oxoethyl)-36-benzyl-21,24-dibutyl-27-(3-guanidinopropyl)-15-(hydroxymethyl)-6-isobutyl-8,20,23,38,39-pentamethyl-1,4,7,10,13,16,19,22,25,28,34,37,40,43-tetradecaoxotetratetracontahydro-1H,33H-pyrrolo[2,1-g1][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-30-carboxamide
InChIKey: XAUDCIZFSQEZFS-KBZJYINFSA-N
SMILES: O=C(N([C@H](C(N([C@H](C(N[C@H](C(N[C@](CSCC(N[C@H](C(N([C@H](C(N[C@H](C(N1CCC[C@]1(C(N[C@]([H])(C(N[C@H](C(N(CC(N[C@H](C(N[C@H](C2=O)CO)=O)CC3=CNC4=CC=CC=C34)=O)C)=O)CC(C)C)=O)CC5=CN=CN5)=O)[H])=O)CC(N)=O)=O)C)C)=O)CC6=CC=CC=C6)=O)([H])C(NCC(N)=O)=O)=O)CCCNC(N)=N)=O)CCCC)C)=O)CCCC)C)[C@](N2)([H])CC7=CNC8=CC=CC=C78
Biological Activity: PD-1/PD-L1-IN 3, a macrocyclic peptide, is a potent and selective inhibitor of the PD-1/PD-L1 and CD80/PD-L1 interactions extracted from patent WO2014151634A1, compound No.1. PD-1/PD-L1-IN 3 interferes with PD-L1 binding to PD-1 and CD80 by binding to PD-L1, with IC50s of 5.60 nM and 7.04 nM, respectively. PD-1/PD-L1-IN 3 can be used for the research of various diseases, including cancer and infectious diseases[1].
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PD-1/PD-L1-IN 3 | PD-1/PD-L1-IN 3, a macrocyclic peptide, is a potent and selective inhibitor of the PD-1/PD-L1 and CD80/PD-L1 interactions extracted from patent WO2014151634A1, compound No.1. PD-1/PD-L1-IN 3 interferes with PD-L1 binding to PD-1 and CD80 by binding to PD-L1, with IC50s of 5.60 nM and 7.04 nM, respectively. PD-1/PD-L1-IN 3 can be used for the research of various diseases, including cancer and infectious diseases. | |||||||||||||||||||||
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