BMSpep-57 is a potent and competitive macrocyclic peptide inhibitor of PD-1/PD-L1 interaction with an IC50 of 7.68 nM. BMSpep-57 binds to PD-L1 with Kds of 19 nM and 19.88 nM in MST and SPR assays, respectively. BMSpep-57 facilitates T cell function by in creasing IL-2 production in PBMCs.

Product information

CAS Number: 1629655-80-6

Molecular Weight: 1868.17

Formula: C89H126N24O19S

Chemical Name: BMSpep-57

Smiles: CC(C)C[C@@H]1NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CO)NC1=O)C(=O)NCC(N)=O

InChiKey: CQENCADPYMYPOU-BYUPMXPTSA-N

InChi: InChI=1S/C89H126N24O19S/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)/t50-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: 10 mM in DMSO

Shipping Condition: Shipped under ambien...

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

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. BMSpep-57 induced high levels of IL-2 at 1 µM and 500 nM concentrations in SEB-stimulated peripheral blood mononuclear cells. 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.

References:

1. Ganesan A, Ahmed M, Okoye I, et al. Comprehensive in vitro characterization of PD-L1 small molecule inhibitors. Sci Rep. 2019;9(1):12392. Published 2019 Aug 27.

Products are for research use only. Not for human use.