Synonym
PD-1/PD-L1 inhibitor P18; PD-1/PD-L1 inhibitor P 18; PD-1/PD-L1 inhibitor P-18;
IUPAC/Chemical Name
N-(2-aminoethyl)-1-(5-chloro-2-((3-cyanobenzyl)oxy)-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)piperidine-2-carboxamide dihydrochloride
InChi Key
OUADRWVTCFSKMB-UHFFFAOYSA-N
InChi Code
InChI=1S/C37H39ClN4O3.2ClH/c1-26-30(13-8-14-32(26)29-11-3-2-4-12-29)25-45-36-21-35(44-24-28-10-7-9-27(19-28)22-40)31(20-33(36)38)23-42-18-6-5-15-34(42)37(43)41-17-16-39;;/h2-4,7-14,19-21,34H,5-6,15-18,23-25,39H2,1H3,(H,41,43);2*1H
SMILES Code
O=C(C1N(CC2=CC(Cl)=C(OCC3=C(C)C(C4=CC=CC=C4)=CC=C3)C=C2OCC5=CC=CC(C#N)=C5)CCCC1)NCCN.[H]Cl.[H]Cl
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
696.11
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Cheng B, Wang W, Niu X, Ren Y, Liu T, Cao H, Wang S, Tu Y, Chen J, Liu S, Yang X, Chen J. Discovery of Novel and Highly Potent Resorcinol Dibenzyl Ether- Based PD-1/PD-L1 Inhibitors with Improved Drug-like and Pharmacokinetic Properties for Cancer Treatment. J Med Chem. 2020 Dec 2. doi: 10.1021/acs.jmedchem.0c01684. Epub ahead of print. PMID: 33264007.
2: Capasso A, Lang J, Pitts TM, Jordan KR, Lieu CH, Davis SL, Diamond JR, Kopetz S, Barbee J, Peterson J, Freed BM, Yacob BW, Bagby SM, Messersmith WA, Slansky JE, Pelanda R, Eckhardt SG. Characterization of immune responses to anti-PD-1 mono and combination immunotherapy in hematopoietic humanized mice implanted with tumor xenografts. J Immunother Cancer. 2019 Feb 8;7(1):37. doi: 10.1186/s40425-019-0518-z. PMID: 30736857; PMCID: PMC6368764.
