Plevitrexed

Chemical Information
Plevitrexed is an orally bioavailable, small molecule, non-polyglutamatable, antifolate quinazoline derivative thymidine synthetase inhibitor with potential antineoplastic activity. Plevitrexed is transported into the cell via the physiological reduced folate carrier (RFC) system. Intracellularly, this agent selectively binds to the folate binding site of thymidylate synthase and inhibits thymidine synthesis, which may result in DNA synthesis inhibition and apoptosis.
| CAS Number | 153537-73-6 |
| PubChem CID | 135430970 |
| IUPAC Name | (2S)-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid |
| Molecular Formula | C26H25FN8O4 |
| Molecular Weight | 532.5 |
| XLogP | 1.7 |
| Topological Polar Surface Area | 166 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1000 |
| Property | Value |
|---|---|
| Molecular Weight | 532.5 |
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 532.19827947 |
| Monoisotopic Mass | 532.19827947 |
| Topological Polar Surface Area | 166 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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