For research use only. Not for therapeutic Use.
DI-82 is a potent deoxycytidine kinase (dCK) inhibitor with an IC50app of 27.8 nM and Kiapp of 9.2 nM. DI-82 has antitumor activity[1].
DI-82 (compound 12R) has an IC50 of 3.7 nM in CCRF-CEM acute lymphoblastic leukemia cells[1].
DI-82 (1 μM) has a NADPH-dependent CLint of 22.7 μL/min•mg and a NADPH-dependent T1/2 of 102 mins in a standard microsomal liver clearance assay[1].
DI-82 (200 μM) completely blunts the ability of decitabine to bind human thymidylate synthase (TS)[2].
| Catalog Number | I015186 |
| CAS Number | 1638148-50-1 |
| Synonyms | N-[2-[5-[4-[(1R)-1-(4,6-diaminopyrimidin-2-yl)sulfanylethyl]-5-methyl-1,3-thiazol-2-yl]-2-methoxyphenoxy]ethyl]methanesulfonamide |
| Molecular Formula | C20H26N6O4S3 |
| Purity | ≥95% |
| InChI | InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1 |
| InChIKey | MBPWFMBRNJJXFY-GFCCVEGCSA-N |
| SMILES | CC1=C(N=C(S1)C2=CC(=C(C=C2)OC)OCCNS(=O)(=O)C)C(C)SC3=NC(=CC(=N3)N)N |
| Reference | [1]. Julian Nomme, et al. Structure-guided Development of Deoxycytidine Kinase Inhibitors With Nanomolar Affinity and Improved Metabolic Stability. J Med Chem. 2014 Nov 26;57(22):9480-94. [2]. Helena Almqvist, et al. CETSA Screening Identifies Known and Novel Thymidylate Synthase Inhibitors and Slow Intracellular Activation of 5-fluorouracil. Nat Commun. 2016 Mar 24;7:11040. |
