WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H463605
CAS#: unknown
Description: PD-1/PD-L1 inhibitor P18 is a novel potent programmed cell death-1 (PD-1)/programmed cell death ligand 1 (PD-L1) inhibitor (IC50 9.1 nM).
Hodoodo Cat#: H463605
Name: PD-1/PD-L1 inhibitor P18
CAS#: unknown
Chemical Formula: C37H41Cl3N4O3
Exact Mass: 694.22
Molecular Weight: 696.110
Elemental Analysis: C, 63.84; H, 5.94; Cl, 15.28; N, 8.05; O, 6.90
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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
Appearance: Solid powder
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
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.