| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C28H25Cl3FN3O3 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
MDMX/MDM2-IN-2 is a potent dual inhibitor of the p53-MDM2/MDMX interaction, with Ki values of 0.23 μM for MDM2 and 2.45 μM for MDMX. It blocks binding between p53 and MDM2, restoring p53 function and driving cell cycle arrest and apoptosis, while also inhibiting cell migration and invasion. Antitumor activity has been reported for the compound[1]. It is supplied as a white to off-white solid (C28H25Cl3FN3O3, MW 576.87) at 98.55% purity.
Physical & Chemical Properties
| CAS Number | 3043723-74-3 |
|---|---|
| Molecular Formula | C28H25Cl3FN3O3 |
| Molecular Weight | 576.87 g/mol |
| Purity | 98.55% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C(C(N(C1=CC=C(C=C1)Cl)C(CCC(N2CCNCC2)=O)=O)C3=CC=C(C=C3Cl)F)C4=CC=C(C=C4)Cl |
| Signaling Pathway | Apoptosis |
| Solubility | In Vitro: DMSO: 100 mg/mL (173.35 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: 0.23 μM (MDM2) and 2.45 μM (MDMX)[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 (173.35 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 | ≥ 5 mg/mL (8.67 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (50.0 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 | ≥ 5 mg/mL (8.67 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 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 (50.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
Moderate anti-proliferative activity against HCT116 and SH-SY5Y cells is demonstrated by MDMX/MDM2-IN-2 (IC50=0.68 μM and 0.54 μM, respectively). Cytotoxicity of MDMX/MDM2-IN-2 is low in BEAS-2B normal human lung epithelial cells as well as LO2 liver cells (IC50=17.96 μM for BEAS-2B and 15.93 μM for LO2)[1]. MDMX/MDM2-IN-2 (0.6-2.4 μM; 48 h) induces apoptosis in HCT116 and SH-SY5Y cells[1]. MDMX/MDM2-IN-2 (0.6-2.4 μM; 48 h) causes G1 phase cell cycle arrest[1]. MDMX/MDM2-IN-2 (0.6-2.4 μM; 48 h) raises the levels of p53 and its downstream targets MDM2, MDMX, p21, and cleaved-caspase3[1]. Colony formation, migration, and invasion of HCT116 and SH-SY5Y cells are dramatically inhibited by MDMX/MDM2-IN-2 (0.4-0.8 μM)[1].
Apoptosis Analysis[1]
| Cell Line | HCT116 and SH-SY5Y cells |
|---|---|
| Concentration | 0.6, 1.2, 2.4 μM |
| Incubation Time | 48 h |
| Result | The percentages of apoptotic HCT116 and SH-SY5Y cells were 13.63% and 15.69% with 0.6 μM. The percentage of apoptotic cells correspondingly increased to 37.6% and 40.8% with 2.4 μM. |
Cell Cycle Analysis[1]
| Cell Line | HCT116 and SH-SY5Y cells |
|---|---|
| Concentration | 0.6, 1.2, 2.4 μM |
| Incubation Time | 48 h |
| Result | There was an increase in the percentage of cancer cells at the G1 phase. Meanwhile, the percentage of G2 phase cells was relatively decreased. |
Western Blot Analysis[1]
| Cell Line | HCT116 and SH-SY5Y cells |
|---|---|
| Concentration | 0.6, 1.2, 2.4 μM |
| Incubation Time | 48 h |
| Result | Increased the levels of p53 and its downstream targets, MDM2, MDMX, p21 and cleaved-caspase3. |
Cell Migration Assay [1]
| Cell Line | HCT116 and SH-SY5Y cells |
|---|---|
| Concentration | 0.4, 0.6, 0.8 μM |
| Incubation Time | 48 h |
| Result | Significantly inhibited the migration and invasion in a dose-dependent manner. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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