| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
PD-1-IN-2898 targets the programmed cell death-1 (PD-1) receptor and its ligand PD-L1. It functions as a PD-1/PD-L1 interaction inhibitor, blocking the binding between PD-1 on T cells and PD-L1 on tumor cells. This inhibitory activity has an IC50 of 92.3 nM. By disrupting this immune checkpoint, the compound prevents the PD-1/PD-L1-mediated suppression of T-cell activation, thereby enhancing antitumor immunity.
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| ln Vitro |
IFN-γ production was dose-dependently boosted by PD-1-IN-22 in the Hep3B/OS-8/hPD-L1 and CD3 T cell co-culture model [1].
In vitro, PD-1-IN-2898 has demonstrated potent inhibition of the PD-1/PD-L1 interaction with an IC50 of 92.3 nM. In Hep3B/OS-8/hPD-L1 and CD3 T cell co-culture models, related PD-1 inhibitors in the same class dose-dependently increase IFN-γ production. This indicates that PD-1-IN-2898 can effectively block the PD-1/PD-L1 axis and enhance T-cell effector function. |
| ln Vivo |
In vivo, PD-1-IN-2898 has the potential to exhibit antitumor activity by reactivating T-cell-mediated immune responses against tumors. As a small-molecule PD-1/PD-L1 inhibitor, it offers advantages over biologics, including oral bioavailability and potential for better tumor penetration. Preclinical studies are expected to demonstrate its efficacy in various tumor models.
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| Enzyme Assay |
In vitro binding assays typically involve surface plasmon resonance (SPR) or ELISA-based methods to measure the inhibition of PD-1/PD-L1 interaction. Recombinant PD-1 protein is immobilized on a sensor chip or plate, and PD-L1 is incubated with varying concentrations of PD-1-IN-2898. The binding signal is measured to calculate the IC50 for inhibition of the protein-protein interaction.
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| Cell Assay |
Cellular assays are performed using co-culture systems, such as Hep3B/OS-8/hPD-L1 cells co-cultured with CD3 T cells. PD-1-IN-2898 is added at various concentrations, and T-cell activation is assessed by measuring IFN-γ production via ELISA. T-cell proliferation may also be evaluated using CFSE dilution or other proliferation assays to confirm the compound's immunostimulatory activity.
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| Animal Protocol |
In vivo studies are typically conducted in syngeneic mouse tumor models (e.g., MC38 colon carcinoma or B16 melanoma) bearing tumors expressing PD-L1. PD-1-IN-2898 is administered orally or intraperitoneally at various doses. Tumor volume is measured periodically, and immune cell infiltration into tumors is assessed by flow cytometry. Serum cytokine levels, including IFN-γ and TNF-α, are measured to evaluate systemic immune activation.
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| ADME/Pharmacokinetics |
PD-1-IN-2898 (molecular weight 459.50, formula C₂₅H₂₅N₅O₄) is a small-molecule compound with a LogP of 2.4. It is typically stored as a powder at -20°C (3 years) or 4°C (2 years). The compound is soluble in DMSO. Its physicochemical properties support oral bioavailability and favorable drug-like characteristics.
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| Toxicity/Toxicokinetics |
Preclinical toxicity studies of PD-1-IN-2898 have been limited, as the compound is primarily used as a research tool. As a PD-1/PD-L1 inhibitor, its toxicity profile is expected to be related to immune-related adverse events, similar to other immune checkpoint inhibitors. No significant toxicity has been reported in the available literature.
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| References | |
| Additional Infomation |
PD-1-IN-2898 is a small-molecule PD-1/PD-L1 interaction inhibitor belonging to the class of [1,2,4]triazolo[4,3-a]pyridine analogs. Its mechanism involves blocking the PD-1/PD-L1 immune checkpoint, thereby reactivating T-cell-mediated antitumor immunity. The compound is intended for research use only and has not received regulatory approval for clinical use. It represents an emerging class of immunotherapeutic agents that offer potential advantages over antibody-based PD-1/PD-L1 inhibitors.
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| Molecular Formula |
C25H25N5O4
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| Molecular Weight |
459.497105360031
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| Exact Mass |
459.19
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| CAS # |
2349372-98-9
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| PubChem CID |
138454801
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
684
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C=CC=C1NC(=O)C2=CC(=CN3C2=NN=C3)CNCCO)C4=CC5=C(C=C4)OCCO5
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| InChi Key |
IWOBHQNCHHSQSY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H25N5O4/c1-16-19(18-5-6-22-23(12-18)34-10-9-33-22)3-2-4-21(16)28-25(32)20-11-17(13-26-7-8-31)14-30-15-27-29-24(20)30/h2-6,11-12,14-15,26,31H,7-10,13H2,1H3,(H,28,32)
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| Chemical Name |
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
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| Synonyms |
PD-1-IN-2898
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1763 mL | 10.8814 mL | 21.7628 mL | |
| 5 mM | 0.4353 mL | 2.1763 mL | 4.3526 mL | |
| 10 mM | 0.2176 mL | 1.0881 mL | 2.1763 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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