For research use only. Not for therapeutic Use.
PD-1/PD-L1-IN 3 TFA, 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 TFA 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 TFA can be used for the research of various diseases, including cancer and infectious diseases[1].
PD-1/PD-L1-IN 3 (0.1 nM-10 μM) inhibits the binding of PD-1 and CD80 to PD-L1, with IC50s of 5.60 nM and 7.04 nM[1].
PD-1/PD-L1-IN 3 blocks the binding of recombinant PD-L1-Ig to Jurkat-PD-1 cells, and also block binding of recombinant PD-1-Ig to either L2987 or LK35.2-hPD-L1, with IC50s of 26 nM, 12 nM, and 3.5 nM, respectively[1].
PD-1/PD-L1-IN 3 (0.001-100 μM) promotes IFN secretion by CMV-specific T cells in a dose-dependent manner, with an EC50 of 400 nM[1].
| Catalog Number | I046022 |
| Synonyms | (3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,39S,42S,45S)-N,3-bis(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-18-(3-carbamimidamidopropyl)-30-(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide;2,2,2-trifluoroacetic acid |
| Molecular Formula | C91H127F3N24O20S |
| Purity | ≥95% |
| InChI | InChI=1S/C89H126N24O18S.C2HF3O2/c1-10-12-30-69-82(125)102-60(29-21-33-95-89(92)93)78(121)108-68(77(120)98-44-73(91)116)47-132-48-75(118)101-64(36-52-23-15-14-16-24-52)85(128)110(7)51(5)76(119)104-66(40-72(90)115)87(130)113-34-22-32-70(113)83(126)103-62(39-55-43-94-49-99-55)80(123)105-63(35-50(3)4)84(127)109(6)45-74(117)100-61(37-53-41-96-58-27-19-17-25-56(53)58)79(122)107-67(46-114)81(124)106-65(38-54-42-97-59-28-20-18-26-57(54)59)86(129)112(9)71(31-13-11-2)88(131)111(69)8;3-2(4,5)1(6)7/h14-20,23-28,41-43,49-51,60-71,96-97,114H,10-13,21-22,29-40,44-48H2,1-9H3,(H2,90,115)(H2,91,116)(H,94,99)(H,98,120)(H,100,117)(H,101,118)(H,102,125)(H,103,126)(H,104,119)(H,105,123)(H,106,124)(H,107,122)(H,108,121)(H4,92,93,95);(H,6,7)/t51-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-;/m0./s1 |
| InChIKey | FQIGBWSJWDUSIQ-RLMBDXFBSA-N |
| SMILES | CCCCC1C(=O)NC(C(=O)NC(CSCC(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N1C)CCCC)C)CC3=CNC4=CC=CC=C43)CO)CC5=CNC6=CC=CC=C65)C)CC(C)C)CC7=CN=CN7)CC(=O)N)C)C)CC8=CC=CC=C8)C(=O)NCC(=O)N)CCCNC(=N)N.C(=O)(C(F)(F)F)O |
| Reference | [1]. MILLER, Michael Matthew, et al. Macrocyclic inhibitors of the pd-1/pd-l1 and cd80(b7-1)/pd-l1 protein/protein interactions. WO2014151634A1. |
