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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
ARB-272572 targets the programmed cell death protein 1 (PD-1) and its ligand PD-L1, a key immune checkpoint pathway. The PD-1/PD-L1 interaction suppresses T-cell activity, allowing cancer cells and viruses to evade the immune system. ARB-272572 is a potent inhibitor of this protein-protein interaction, with an IC50 of 400 pM. It induces cell-surface PD-L1 dimerization through cis-interacting homodimers, thereby inhibiting the PD-1/PD-L1 axis.
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| ln Vitro |
In vitro, ARB-272572 is a highly potent inhibitor of the PD-1/PD-L1 interaction. It has an IC50 of 400 pM in biochemical assays. In cell-based assays using PD-L1 aAPC/CHO-K1 cells, it inhibits PD-1/PD-L1 with an IC50 of 17 nM. In CMV recall assays, ARB-272572 increases the expression of IFNγ. These activities confirm its potent immunostimulatory effects by blocking the PD-1/PD-L1 axis.
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| ln Vivo |
In vivo, ARB-272572 is an orally effective compound with research significance in tumors and chronic viral infections. Its ability to block the PD-1/PD-L1 interaction and enhance immune responses makes it a valuable tool for studying cancer immunotherapy and chronic viral infections. Specific in vivo efficacy data, including dosing regimens and animal models, are not detailed in the provided sources but would be available in the primary literature.
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| Enzyme Assay |
The inhibitory activity of ARB-272572 is assessed using biochemical and cell-based assays. In biochemical assays, the PD-1/PD-L1 interaction is measured using techniques such as AlphaScreen or ELISA, where the compound's ability to disrupt the interaction is quantified, and the IC50 is calculated. In cell-based assays, cells expressing PD-L1 are co-cultured with PD-1-expressing cells in the presence of the compound, and the inhibition of the interaction is measured.
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| Cell Assay |
The cellular activity of ARB-272572 is evaluated in primary human cells and cell lines. In CMV recall assays, human peripheral blood mononuclear cells (PBMCs) are treated with the compound and stimulated with CMV antigen. The production of IFNγ, a key effector cytokine, is measured by ELISA to assess the compound's immunostimulatory activity. The compound's effect on PD-L1 dimerization can be confirmed by immunoprecipitation or Western blot.
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| Animal Protocol |
In animal studies, ARB-272572 would typically be administered orally to mice in models of cancer or chronic viral infection. Dosing regimens would be determined based on its pharmacokinetic properties. Efficacy endpoints include tumor growth inhibition, immune cell infiltration, and viral load. The compound's ability to enhance anti-tumor immunity and its potential in combination with other immunotherapies would be assessed.
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| ADME/Pharmacokinetics |
ARB-272572 is a small molecule with a molecular weight of 568.67 g/mol and a chemical formula of C32H36N6O4. It is soluble in DMSO and is typically stored as a powder at -20°C. It has a purity of ≥95%. Its oral bioavailability makes it suitable for convenient administration in in vivo studies. Detailed pharmacokinetic parameters are available from preclinical studies.
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| Toxicity/Toxicokinetics |
Formal toxicology data for ARB-272572 is not extensively documented in the provided sources, as it is a research compound. Its safety profile has not been established in comprehensive toxicology studies. However, its use in cell-based assays at effective concentrations suggests it is tolerated in those contexts. Its use is limited to research applications.
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| References | |
| Additional Infomation |
ARB-272572 (CAS: 2368182-63-0) is a highly potent and orally available small-molecule PD-L1 inhibitor. Its IC50 of 400 pM makes it one of the most potent inhibitors of the PD-1/PD-L1 interaction. It induces PD-L1 homodimerization, a unique mechanism of action, and produces immunostimulatory activity. It is a valuable tool for studying cancer immunotherapy and chronic viral infections. It is available from various commercial suppliers for research purposes.
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| Molecular Formula |
C32H36N6O4
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|---|---|
| Molecular Weight |
568.67
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| Exact Mass |
568.279
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| CAS # |
2368182-63-0
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| PubChem CID |
139537190
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| Appearance |
White to off-white solid powder
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| LogP |
1.8
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
13
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| Heavy Atom Count |
42
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| Complexity |
767
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C2=CC=CC(NC(C3=NC=C(CNCCO)C=C3)=O)=C2C)=CC=CC(NC(C2=NC=C(CNCCO)C=C2)=O)=C1C
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| InChi Key |
FZEPAZRIEAMJFE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C32H36N6O4/c1-21-25(5-3-7-27(21)37-31(41)29-11-9-23(19-35-29)17-33-13-15-39)26-6-4-8-28(22(26)2)38-32(42)30-12-10-24(20-36-30)18-34-14-16-40/h3-12,19-20,33-34,39-40H,13-18H2,1-2H3,(H,37,41)(H,38,42)
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| Chemical Name |
N,N'-(2,2'-dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(5-(((2-hydroxyethyl)amino)methyl)picolinamide)
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| Synonyms |
ARB272572 ARB-272572 ARB 272572
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~219.81 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.66 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (20.8 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.08 mg/mL (3.66 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Suspended solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (20.8 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (3.66 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (20.8 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7585 mL | 8.7924 mL | 17.5849 mL | |
| 5 mM | 0.3517 mL | 1.7585 mL | 3.5170 mL | |
| 10 mM | 0.1758 mL | 0.8792 mL | 1.7585 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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