| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C33H38N4O6 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
PD-L1-IN-2 is a potential tumor-immunological agent that acts by inhibiting PD-L1. A Naamidine J derivative, it exerts antitumor effects in vivo by reducing PD-L1 expression and enhancing tumor-infiltrating T-cell immunity, and has been used in colorectal cancer research[1]. It is supplied as a white to off-white solid (C33H38N4O6, MW 586.68) at 99.41% purity.
Physical & Chemical Properties
| CAS Number | 2894733-91-4 |
|---|---|
| Molecular Formula | C33H38N4O6 |
| Molecular Weight | 586.68 g/mol |
| Purity | 99.41% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | COC1=CC=C(CC2=C(CC3=CC(OC)=C(OC)C=C3)N(C)C(NC(C4=CC(NC(OC(C)(C)C)=O)=CC=C4)=O)=N2)C=C1 |
| Signaling Pathway | Immunology/Inflammation |
| Solubility | In Vitro: DMSO: 50 mg/mL (85.23 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 50 mg/mL (85.23 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (4.26 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
PD-L1-IN-2 acts against RKO cells with an IC50 value of 31.7μM[1]. In RKO cells, PD-L1-IN-2 (0-10 μM; 0-24 hours) lowers PD-L1 expression in a dose- and time-dependent manner[1]. PD-L1-IN-2 (0-10 μM; 0-24 hours) promotes turnover of the PD-L1 protein. In the CHX pulse-chase, PD-L1 turns over faster in PD-L1-IN-2-treated cells than in untreated cells[1].
Western Blot Analysis[1]
| Cell Line | RKO cells |
|---|---|
| Concentration | 5 μM |
| Incubation Time | 0h, 1h, 3h, 6h, 9h, 12h |
| Result | Promoted the turnover of PD-L1 protein. |
In Vivo
PD-L1-IN-2 (i.p.; 25/50 mg/kg; once a day; 16 days) reduces tumor size, reaching a 45% inhibition rate at 45 mg/kg; the average tumor weight in the 50 mg/kg groups is also significantly lower than in the PBS group[1].
| Animal Model | C57BL/6 mice with subcutaneous MC38 tumors[1] |
|---|---|
| Dosage | 25/50 mg/kg |
| Administration | i.p.; 25/50 mg/kg; once a day; 16 days |
| Result | Suppressed MC38 tumor growth in vivo. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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Inhibition of Mettl3 alleviates low-dose cisplatin-induced renal fibrosis and enhances the chemotherapeutic efficacy in mouse models of cancer. Int J Biol Sci 2025 Jun 23;21(10):4293-4311. PMID: 40765834
