TK-112690

Chemical Information
Uridine Phosphorylase Inhibitor TK-112690 is a 2,2'-anhydropyrimidine derivative and human uridine phosphorylase (UPase) inhibitor that can be used to suppress mucositis induced by certain chemotherapeutics. Upon administration of UPase inhibitor TK-112690 prior to the administration of certain chemotherapeutic agents, such as methotrexate (MTX), this agent targets, binds to and blocks the activity of UPase, thereby preventing the metabolic breakdown of uridine into uracil. This increases the uridine levels in plasma and may prevent mucositis. By rescuing normal tissue, TK-112690 may enhance the therapeutic index of the chemotherapeutic agent. UPase plays a key role in in pyrimidine metabolism, and catabolizes uridine into uracil and ribose-1-phosphate.
| CAS Number | 22423-26-3 |
| PubChem CID | 168045 |
| IUPAC Name | (2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one |
| Molecular Formula | C10H12N2O5 |
| Molecular Weight | 240.21 |
| XLogP | -2.1 |
| Topological Polar Surface Area | 91.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 432 |
| Property | Value |
|---|---|
| Molecular Weight | 240.21 |
| XLogP3 | -2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.07462149 |
| Monoisotopic Mass | 240.07462149 |
| Topological Polar Surface Area | 91.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 432 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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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