| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PD-L1 (Programmed death-ligand 1) is a transmembrane protein expressed on the surface of tumor cells and antigen-presenting cells. The interaction between PD-L1 on tumor cells and PD-1 on T cells leads to T cell exhaustion, anergy, and immune evasion. PD-L1-IN-1 binds to PD-L1 protein with strong affinity and inhibits the PD-L1/PD-1 interaction. The compound has an IC50 of 115 nM for inhibiting PD-L1. By blocking the PD-L1/PD-1 interaction, PD-L1-IN-1 prevents the inhibitory signal transduction through PD-1, thereby restoring the effector functions of T cells, including proliferation, cytokine production, and cytotoxic activity against tumor cells.
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| ln Vitro |
In vitro, PD-L1-IN-1 inhibits PD-L1 with an IC50 of 115 nM. It strongly binds to PD-L1 protein and enhances the antitumor immune activity of peripheral blood mononuclear cells (PBMCs) in co-culture with PD-L1-expressing cancer cells. In co-culture models using PC9 and HCC827 lung cancer cells, PD-L1-IN-1 increases the release of IFN-γ, enhances the killing effect of activated PBMCs on PD-L1-expressing lung cancer cells, and induces apoptosis. The compound shows low cytotoxicity to healthy cells, indicating a favorable selectivity profile.
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| ln Vivo |
In vivo, PD-L1-IN-1 has been evaluated in tumor-immune co-culture models, demonstrating its ability to enhance antitumor immune activity. By forming a robust bond with the PD-L1 protein, PD-L1-IN-1 effectively suppresses tumor growth by enhancing the antitumor immune activity of peripheral blood mononuclear cells in co-cultures with PD-L1-expressing cancer cells. The compound has shown efficacy in preclinical models, supporting its potential as an immunotherapeutic agent for cancer treatment.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (cell-free) assay for PD-L1-IN-1 typically involves surface plasmon resonance (SPR) or ELISA-based binding assays to measure the binding affinity of the compound to recombinant human PD-L1 protein. PD-L1 is immobilized on a sensor chip or microplate, and various concentrations of PD-L1-IN-1 are incubated to determine the equilibrium dissociation constant (Kd). Competition assays are performed to determine the IC50 for inhibiting the PD-L1/PD-1 interaction by incubating PD-L1-IN-1 with PD-L1 and PD-1 proteins and measuring the residual binding using HTRF or ELISA.
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| Cell Assay |
In vitro cellular assays for PD-L1-IN-1 use PD-L1-expressing cancer cells (PC9 and HCC827 cells) co-cultured with human peripheral blood mononuclear cells (PBMCs). The compound is added at a concentration of 1 μM for 48 hours. IFN-γ release is measured by ELISA to assess T cell activation. Apoptosis induction in cancer cells is evaluated by Annexin V/PI staining and flow cytometry. Tumor cell killing is assessed by measuring the viability of cancer cells using MTT or LDH release assays. The enhancement of PBMC-mediated antitumor activity is the primary readout.
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| Animal Protocol |
In vivo animal experiments for PD-L1-IN-1 are conducted in mouse xenograft models using PD-L1-expressing human tumor cells. Immunocompromised mice bearing tumor xenografts are reconstituted with human PBMCs, or immunocompetent syngeneic mouse models are used. PD-L1-IN-1 is administered via oral gavage or intraperitoneal injection at various dose levels. Tumor growth inhibition is assessed by measuring tumor volumes over time. Immune cell infiltration into tumors is evaluated by immunohistochemistry for CD8+ T cells and other immune markers.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for PD-L1-IN-1 are limited. As a small molecule with a molecular weight of 377.4 g/mol, it is expected to have moderate oral bioavailability and a half-life suitable for oral dosing. The compound has a molecular formula of C21H23N5O2. The triazine scaffold of PD-L1-IN-1 may confer favorable drug-like properties, including metabolic stability and permeability. Further pharmacokinetic studies are needed to fully characterize the absorption, distribution, metabolism, and excretion (ADME) properties of PD-L1-IN-1.
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| Toxicity/Toxicokinetics |
Toxicology data for PD-L1-IN-1 are limited. In co-culture studies, the compound shows low cytotoxicity to healthy cells, suggesting a favorable safety profile. No significant off-target toxicities have been reported. The compound is intended for research purposes only and is not approved for human use. Further toxicological evaluation is needed to assess the safety of PD-L1-IN-1 in vivo.
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| References | |
| Additional Infomation |
PD-L1-IN-1 (CAS: 2767424-13-3) is a research compound used to study PD-L1/PD-1 immune checkpoint blockade. It is primarily used in immuno-oncology research to investigate the mechanism of PD-L1 inhibition and to develop novel small-molecule immune checkpoint inhibitors. The compound represents a promising lead for the development of oral PD-L1 inhibitors as an alternative to monoclonal antibody-based immunotherapies. PD-L1-IN-1 is not approved for human use and is intended for research purposes only.
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| Molecular Formula |
C21H23N5O2
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|---|---|
| Molecular Weight |
377.439624071121
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| Exact Mass |
377.185
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| CAS # |
2767424-13-3
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| PubChem CID |
163323831
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
28
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| Complexity |
472
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC=NC(=N3)NCCNC(=O)C
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| InChi Key |
LGWZTWZGNYPECF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H23N5O2/c1-15-18(9-6-10-19(15)17-7-4-3-5-8-17)13-28-21-25-14-24-20(26-21)23-12-11-22-16(2)27/h3-10,14H,11-13H2,1-2H3,(H,22,27)(H,23,24,25,26)
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| Chemical Name |
N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-1,3,5-triazin-2-yl]amino]ethyl]acetamide
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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 (331.18 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.51 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (5.51 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6494 mL | 13.2471 mL | 26.4943 mL | |
| 5 mM | 0.5299 mL | 2.6494 mL | 5.2989 mL | |
| 10 mM | 0.2649 mL | 1.3247 mL | 2.6494 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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