For research use only. Not for therapeutic Use.
BMSpep-57 hydrochloride is a potent and competitive macrocyclic peptide inhibitor of PD-1/PD-L1 interaction with an IC50 of 7.68 nM. BMSpep-57 hydrochloride binds to PD-L1 with Kds of 19 nM and 19.88 nM in MST and SPR assays, respectively. BMSpep-57 hydrochloride facilitates T cell function by in creasing IL-2 production in PBMCs[1].
In a ELISA competition assay, BMSpep-57 inhibits PD-1/PD-L1 binding up to 98.1% 300 nM. And it shows a concentration dependent inhibition of PD-1/PD-L1 binding with an IC50 of 7.68 nM[1].
BMSpep-57 induced high levels of IL-2 at 1 µM and 500 nM concentrations in SEB-stimulated peripheral blood mononuclear cells[1].
BMSpep-57 (0.2-10 μM; 24 hours) does not show any effect on the Jurkat, CHO and HepG2 cells’ viability at the various concentrations tested[1].
| Catalog Number | I044230 |
| Synonyms | (3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S)-N,3-bis(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-18-(3-carbamimidamidopropyl)-30,36-bis(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25-tetramethyl-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;hydrochloride |
| Molecular Formula | C89H127ClN24O19S |
| Purity | ≥95% |
| InChI | InChI=1S/C89H126N24O19S.ClH/c1-9-11-29-69-83(127)101-59(28-20-32-95-89(92)93)77(121)109-68(76(120)98-43-73(91)117)46-133-47-74(118)100-63(35-51-22-14-13-15-23-51)85(129)110(6)50(5)75(119)105-65(39-72(90)116)87(131)113-33-21-31-70(113)84(128)104-62(38-54-42-94-48-99-54)80(124)102-60(34-49(3)4)78(122)107-66(44-114)81(125)103-61(36-52-40-96-57-26-18-16-24-55(52)57)79(123)108-67(45-115)82(126)106-64(37-53-41-97-58-27-19-17-25-56(53)58)86(130)112(8)71(30-12-10-2)88(132)111(69)7;/h13-19,22-27,40-42,48-50,59-71,96-97,114-115H,9-12,20-21,28-39,43-47H2,1-8H3,(H2,90,116)(H2,91,117)(H,94,99)(H,98,120)(H,100,118)(H,101,127)(H,102,124)(H,103,125)(H,104,128)(H,105,119)(H,106,126)(H,107,122)(H,108,123)(H,109,121)(H4,92,93,95);1H/t50-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-;/m0./s1 |
| InChIKey | UKJHYRZSAMTCOQ-IKIWNWSLSA-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)NC(C(=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)CO)CC(C)C)CC7=CN=CN7)CC(=O)N)C)C)CC8=CC=CC=C8)C(=O)NCC(=O)N)CCCNC(=N)N.Cl |
| Reference | [1]. Aravindhan Ganesan, et al. Comprehensive in vitro characterization of PD-L1 small molecule inhibitors.Sci Rep . 2019 Aug 27;9(1):12392. |
