| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C30H41F3N8O11S3 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
AST5902 trimesylate is the active metabolite of furmonertinib, with antitumor activity, and acts as an EGFR inhibitor. It inhibits CYP3A4 mRNA transcription at low concentrations while inducing CYP3A4 mRNA expression at high concentrations. It can be used in research related to non-small cell lung cancer[1][2]. It is supplied as a yellow to orange solid (C30H41F3N8O11S3, MW 842.88) at 98.75% purity.
Physical & Chemical Properties
| CAS Number | 2929417-90-1 |
|---|---|
| Molecular Formula | C30H41F3N8O11S3 |
| Molecular Weight | 842.88 g/mol |
| Purity | 98.75% |
| Appearance | Solid |
| Color | Yellow to orange |
| SMILES | CS(=O)(O)=O.C=CC(NC1=CC(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)=C(OCC(F)(F)F)N=C1N(C)CCNC)=O.CS(=O)(O)=O.CS(=O)(O)=O |
| Target | CYP3A4, EGFR |
| Signaling Pathway | Metabolic Enzyme/Protease; Protein Tyrosine Kinase/RTK; JAK/STAT Signaling |
| Solubility | In Vitro: DMSO: 50 mg/mL (59.32 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | 4°C, sealed storage, away from moisture and light. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). |
| 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 (59.32 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); sealed storage, away from moisture and light; 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 (2.97 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). 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 (2.97 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). 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
The anti-tumor activity of AST5902 is comparable to that of Furmonertinib, its parent compound and a potent EGFR inhibitor[1]. In human liver microsomes, AST5902 forms from Furmonertinib through CYP3A4-mediated N-demethylation[2]. In primary human hepatocytes, AST5902 (0.003‑5 μM) modulates CYP3A4 mRNA expression, with weak to moderate CYP3A4 induction activity (EC50 0.13‑0.68 μM), and inhibits CYP3A4 mRNA transcription at low concentrations[2].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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