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.

Product information

CAS Number: 1629654-95-0

Molecular Weight: 1852.17

Formula: C89H126N24O18S

Chemical Name: 2-{[(3S,6S,12S,15S,18S,21S,24S,27S,30R,36S,39S,42S,47aS)-36-benzyl-21,24-dibutyl-27-(3-carbamimidamidopropyl)-42-(carbamoylmethyl)-3,18,30,47a-tetrahydrogenio-15-(hydroxymethyl)-3-[(1H-imidazol-5-yl)methyl]-12,18-bis[(1H-indol-3-yl)methyl]-8,20,23,38,39-pentamethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,34,37,40,43-tetradecaoxo-hexatetracontahydropyrrolo[1,2-m]1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaazacyclopentatetracontan-30-yl]formamido}acetamide

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)CN(C)C1=O)C(=O)NCC(N)=O

InChiKey: XAUDCIZFSQEZFS-KBZJYINFSA-N

InChi: InChI=1S/C89H126N24O18S/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/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)/t51-,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)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

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:

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. 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. 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.

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