Raltitrexed is a synthetic antifolate antimetabolite and thymidylate synthase inhibitor used as an oncology active pharmaceutical ingredient. It is identified by CAS 112887-68-0, molecular formula C₂₁H₂₂N₄O₆S, and molecular weight 458.49 g/mol.
Raltitrexed, also known by the development code ZD-1694, is a quinazoline-based antifolate compound. Its pharmacological activity is associated with inhibition of thymidylate synthase, an enzyme required for thymidylate production and DNA synthesis.
| Parameter | Details |
|---|---|
| Product | Raltitrexed |
| CAS | 112887-68-0 |
| Formula | C₂₁H₂₂N₄O₆S |
| Molecular Weight | 458.49 g/mol |
| Development Code | ZD-1694 |
| Drug Class | Antimetabolite / antifolate |
| Target | Thymidylate synthase |
| Physical Form | Solid |
| Appearance | White to light-yellow powder/crystal |
| Melting Point | 176°C (decomposition) |
| Specific Rotation | −15.0° to −20.0° (c=1, MeOH) |
| Solubility | Soluble in water |
TCI reports white-to-light-yellow powder/crystal, ≥98.0 area% HPLC purity, specific rotation −15.0° to −20.0° and a reference melting point of 176°C with decomposition.
Raltitrexed API is associated with:
Raltitrexed can be characterized by HPLC, H-NMR, LC-MS, IR and HPLC-ESI-MS. A published API reference specification provides numerical controls for assay, loss on drying, water, heavy metals, sulfated ash, residue on ignition and related substances.
TCI independently lists a minimum 98.0 area% HPLC purity and confirms the chemical identity and physical characteristics.
Raltitrexed manufacturing requires controlled synthesis, purification and stereochemical control. Important quality attributes include identity, assay, related substances, moisture, ash-related parameters and elemental/heavy-metal control.
Raltitrexed should be handled under controlled storage conditions. TCI recommends frozen storage below 0°C and identifies the material as heat-sensitive.
Typical API documentation can include:
Raltitrexed is a structurally defined oncology API requiring appropriate control of assay, impurities, moisture, elemental impurities and identity. Validated analytical methods and documented batch testing are important for consistent pharmaceutical quality.
| Parameter | Specification |
|---|---|
| Appearance | white to off-white crystalline powder |
| Identification | IR & HPLC compliant |
| Assay (HPLC) | 98.0% – 102.0% |
| Loss on Drying | NMT 2.0% |
| Residue on Ignition | NMT 0.10% |
| Heavy Metals | NMT 10 ppm |
| Individual Impurity | NMT 0.10% |
| Total Impurities | NMT 0.50% |
| Water Content | NMT 1.0% |
| Specific Rotation | −15.0° to −20.0° (c=1, MeOH) |
| Melting Point | 176°C (decomposition) |