| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Source | Plant — Compositae Jacobaea cannabifolia (Less.) E. Wiebe; Plant — Acanthaceae |
| Molecular weight | |
| Molecular formula | C23H13N3O2 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Qingdainone is a quinazoline alkaloid and TMPRSS2 inhibitor that can be isolated from Strobilanthes cusia. It exhibits anti-tumor and anti-inflammatory activities and can be used in studies related to chronic myeloid leukemia[1][2]. It is supplied as a brown to black solid (C23H13N3O2, MW 363.37) at 98.10% purity.
Physical & Chemical Properties
| CAS Number | 97457-31-3 |
|---|---|
| Molecular Formula | C23H13N3O2 |
| Molecular Weight | 363.37 g/mol |
| Purity | 98.10% |
| Appearance | Solid |
| Color | Brown to black |
| Structure Classification | Flavonoids Other Flavonoids |
| SMILES | O=C1C2=CC=CC=C2N/C1=C3C4=CC=CC=C4N5C\3=NC6=CC=CC=C6C5=O |
| Signaling Pathway | Metabolic Enzyme/Protease |
| Initial Source | Plant — Compositae Jacobaea cannabifolia (Less.) E. Wiebe; Plant — Acanthaceae |
| 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
Qingdainone shows tight binding to homology-modeled human TMPRSS2, with a docked binding energy of -9.6 kcal/mol, through specific hydrogen bonds and hydrophobic interactions involving key protein residues[1].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
Need this compound in a format that drops straight into your assay? We can tailor formulation, chemistry, and documentation so your results stay consistent across runs and re-orders.
- Format options: solid or pre-dissolved solution (choose solvent), target concentration, aliquots, light/moisture-protected packaging
- Chemistry options: free base/acid vs salt forms, hydrate/solvate preference, stereoisomer control (single enantiomer or racemate), close analogs
- Add-on labels & handles: D/¹³C/¹⁵N isotopes (LC-MS/internal standards), azide/alkyne or other functional handles for conjugation
- QC & documentation: standard COA or enhanced analytical pack (HPLC/LC-MS/NMR), chiral purity, residual solvents, water content (KF), method-specific specs
- Scale & continuity: mg to gram scale, bulk pricing, lot reservation, repeat-order continuity
To quote quickly, tell us: compound name + CAS/structure (SMILES or mol file), intended assay context, solvent preference, salt/stereochemistry requirements, purity/QC level, and the amount (mg–g).
Can’t find the compound you’re looking for?
Send the CAS or structure and your specs. We can help source it, suggest close equivalents, or discuss custom synthesis with the right QC documentation (RUO).
Mechanism of action of Pulsatilla chinensis (Bunge) Regel compounds in hepatocellular carcinoma (HCC) treatment: An integrated analysis combining network pharmacology, molecular docking, molecular dynamics simulations and luciferase reporter gene assay. J Ethnopharmacol 2025 Aug 29:352:120176. PMID: 40543694
