| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C24H16N4 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
TD52, an Erlotinib derivative, is an orally active, potent inhibitor of CIP2A (cancerous inhibitor of protein phosphatase 2A). It mediates the apoptotic effect in triple-negative breast cancer (TNBC) cells by regulating the CIP2A/PP2A/p-Akt signalling pathway, and it indirectly reduces CIP2A by disturbing Elk1 binding to the CIP2A promoter. It has less p-EGFR inhibition and has potent anti-cancer activity[1]. It is also a click chemistry reagent bearing an alkyne group that can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing azide groups. It is supplied as a white to yellow solid (C24H16N4, MW 360.41) at 95.0% purity.
Physical & Chemical Properties
| CAS Number | 1798328-24-1 |
|---|---|
| Molecular Formula | C24H16N4 |
| Molecular Weight | 360.41 g/mol |
| Purity | 95.0% |
| Appearance | Solid |
| Color | White to yellow |
| SMILES | C#CC1=CC(NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(C#C)=C4)=CC=C1 |
| Signaling Pathway | Apoptosis; Metabolic Enzyme/Protease; PI3K/Akt/mTOR |
| Solubility | In Vitro: DMSO: 100 mg/mL (277.46 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. |
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 (277.46 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 (6.94 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 2.5 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. 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% (20% SBE-β-CD in saline) |
|---|---|
| Result | 2.5 mg/mL (6.94 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 2.5 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Data provided by the manufacturer.
In Vitro
TD52 (2-10 μM; 48 hours) displays anti-proliferative activity and has differing apoptotic effects across these cell lines[1]. At 5 μM (48 hours), TD52 has minimal effects on p-EGFR or EGFR expression but downregulates CIP2A expression[1]. TD52 (2.5, 5, 7.5 μM; 48 hours) induces apoptosis in a time-dependent manner, together with downregulation of CIP2A and p-Akt[1]. In TNBC cells, TD52 (5 μM; 24 hours) significantly raises PP2A phosphatase activity[1]. Other common RTKs, such as IGFR, PDGFR and VEGFR2, are not obviously affected by TD52 (5 μM; 48 hours)[1].
Apoptosis Analysis[1]
| Cell Line | Three TNBC cell lines including HCC-1937, MDA-MB-231 and MDA-MB-468 cells |
|---|---|
| Concentration | 2, 4, 6, 8, 10 μM |
| Incubation Time | 48 hours |
| Result | Showed anti-proliferative ability and induced differential apoptotic effects in these cell lines. |
Western Blot Analysis[1]
| Cell Line | MDA-MB-231 cell |
|---|---|
| Concentration | 5 μM |
| Incubation Time | 48 hours |
| Result | Had minimal effects on p-EGFR or EGFR expression but downregulated CIP2A expression. |
In Vivo
In MDA-MB-468 xenografts, TD52 (10 mg/kg/day; oral gavage; for 52 days) significantly inhibits tumour size and tumour weight[1].
| Animal Model | Female NCr athymic nude mice (5-7 weeks of age)[1] |
|---|---|
| Dosage | 10 mg/kg |
| Administration | Oral gavage; daily; for 52 days |
| Result | Significantly inhibits MDA-MB-468 xenograft tumour size and tumour weight. Decreased the protein expressions of CIP2A and p-Akt in the three MDA-MB-468 xenograft tumours. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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CIP2A promotes inflammation and exacerbates osteoarthritis by targeting CEMIP. Cell Mol Biol Lett 2025 Jun 9;30(1):67. PMID: 40490703
cAMP/PKA signaling promotes AKT deactivation by reducing CIP2A expression, thereby facilitating decidualization. Mol Cell Endocrinol 2023 Jul 1:571:111946. PMID: 37127088
