| Field | Specification |
|---|---|
| Alternative names | Trimethoprim 3-N-oxide |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C14H18N4O4 |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Trimethoprim 3-oxide, also known as Trimethoprim 3-N-oxide, is the primary metabolite of trimethoprim[1]. It is supplied as a white to off-white solid (C14H18N4O4, MW 306.32).
Physical & Chemical Properties
| CAS Number | 27653-67-4 |
|---|---|
| Molecular Formula | C14H18N4O4 |
| Molecular Weight | 306.32 g/mol |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | NC1=NC=C(CC2=CC(OC)=C(OC)C(OC)=C2)C(N)=[N+]1[O-] |
| Signaling Pathway | Metabolic Enzyme/Protease |
| 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
Trimethoprim 3-oxide is the main metabolite of trimethoprim[1]. CYP1A1 and CYP1B1 convert trimethoprim to Trimethoprim 3-oxide (3-NO-TMP), with the highest rates seen in human liver microsomes (HLMs). Trimethoprim 3-oxide formation is inhibited by the CYP1A inhibitor α-Naphthoflavone, whereas other competitive P450 inhibitors show no obvious inhibition of its formation[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).
