| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C35H27NO6S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
LYP-IN-3 is a selective, orally active, reversible inhibitor of lymphoid-tyrosine phosphatase (LYP), with an IC50 of 2.55 μM and a Ki of 0.93 μM, and it shows high selectivity over PTP1B, PTPN12, PTPN5 and SSH2. By specifically inhibiting LYP, it regulates T-cell receptor (TCR) signaling. It does not significantly inhibit MC38 cell viability, and its antitumor effect stems from immune regulation; it can significantly upregulate PD-L1 or PD-1 expression in different immune cells, facilitates T-cell infiltration, enhances T-cell function, and synergizes with PD-L1 blockade, which can significantly improve colorectal tumor regression, supporting its use in colorectal cancer research[1]. It is supplied as a white to off-white solid (C35H27NO6S, MW 589.66) at 99.80% purity.
Physical & Chemical Properties
| CAS Number | 3052262-64-0 |
|---|---|
| Molecular Formula | C35H27NO6S |
| Molecular Weight | 589.66 g/mol |
| Purity | 99.80% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C(C1=CC2=CC(N(CC3=CC=C(OCC4=CC=CC=C4)C=C3)S(=O)(C5=CC=C(C6=CC=CC=C6)C=C5)=O)=CC=C2O1)O |
| Signaling Pathway | Metabolic Enzyme/Protease; Immunology/Inflammation |
| Solubility | In Vitro: DMSO: 100 mg/mL (169.59 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; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
Activity & Target
Ki: 0.93 μM (Lymphoid-tyrosine phosphatase, LYP)[1]
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 | 100 mg/mL (169.59 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 + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | 2.5 mg/mL (4.24 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | 2.5 mg/mL (4.24 mM); clear solution; requires sonication |
| How to prepare | Gives a clear solution at 2.5 mg/mL. 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
In Jurkat T cells, LYP-IN-3 (15 μM, 1 h) raises phosphorylation of LCK and ERK, which stimulates TCR signaling via specific inhibition of LYP[1]. In MC38 cells, LYP-IN-3 (0-4 μM, 72 h) has no significant inhibitory effect on viability[1]. D34 (10 μM, 20 μM, 48 h) can raise PD-L1 expression in MC38 cells in a dose-dependent manner[1].
Western Blot Analysis[1]
| Cell Line | Jurkat T cells |
|---|---|
| Concentration | 15 μM |
| Incubation Time | 1 h |
| Result | Led to increased levels of phosphorylation of LCK and ERK. |
Cell Viability Assay[1]
| Cell Line | MC38 cells |
|---|---|
| Concentration | 0 μM, 0.5 μM, 1 μM, 2 μM, 4 μM |
| Incubation Time | 72 h |
| Result | Had no significant inhibitory effect on the survival rate of MC38 cells. |
In Vivo
LYP-IN-3, given by oral gavage at 50 mg/kg twice daily for 14 days, significantly inhibited MC38 tumor growth through enhanced anti-tumor immunity; its mechanism involved T cell activation and regulation of macrophage polarization instead of direct cytotoxicity[1]. Given by oral gavage at 50 mg/kg twice daily for 14 days, LYP-IN-3 combined with PD-L1 blockade significantly improves colorectal tumor regression[1].
| Animal Model | 1.0 × 106 MC38 cells were injected subcutaneously into the right armpits of C57BL/6J mice to establish the MC38 cell syngeneic mouse tumor model[1]. |
|---|---|
| Dosage | 50 mg/kg |
| Administration | Oral gavage, twice a day for 14 days |
| Result | Significantly suppressed tumor growth in vivo with TGI = 65%. Significantly increased the proportion of lymphocytes (CD45+) in the tumor microenvironment. Increased the proportion of CD4+ T cells and CD8+ T cells in the tumor microenvironment with increased expression of Ki67. Significantly upregulated the tumor infiltration of CD8+ T cells. Increased the proportion of M1 TAMs and inhibited the M2 polarization of TAMs. |
| Animal Model | 1.0 × 106 MC38 cells were injected subcutaneously into the right armpits of C57BL/6J mice to establish the MC38 cell syngeneic mouse tumor model[1]. |
|---|---|
| Dosage | PD-L1: 4 mg/kg LYP-IN-3: 50 mg/kg |
| Administration | PD-L1: Once every two days, Intraperitoneal injections LYP-IN-3: Twice a day, Oral gavage |
| Result | The combined use of LYP-IN-3 with PD-L1 blockade showed stronger tumor regression. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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