UBA5-IN-1

• CAT Number: I042635
• CAS Number: 1831169-11-9
• Molecular Formula: C26H40F6N10O11S2Zn
• Molecular Weight: 912.16
• Purity: ≥95%
• Synonyms: zinc;(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[6-oxo-6-(1,4,7,10-tetrazacyclododec-1-yl)hexyl]oxolane-2-carboxamide;trifluoromethanesulfonate
• InChI: InChI=1S/C24H40N10O5.2CHF3O3S.Zn/c25-21-17-22(31-14-30-21)34(15-32-17)24-19(37)18(36)20(39-24)23(38)29-5-3-1-2-4-16(35)33-12-10-27-8-6-26-7-9-28-11-13-33;2*2-1(3,4)8(5,6)7;/h14-15,18-20,24,26-28,36-37H,1-13H2,(H,29,38)(H2,25,30,31);2*(H,5,6,7);/q;;;+2/p-2/t18-,19+,20-,24+;;;/m0.../s1
• InChIKey: DLPRYIVGTKSVTR-WAYDLRBYSA-L
• SMILES: C1CNCCN(CCNCCN1)C(=O)CCCCCNC(=O)C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zn+2]

UBA5-IN-1 (compound 8.5) is a selective UBA5 inhibitor with an IC50 value of 4.0 μM. UBA5-IN-1 inhibits cell proliferation of Sk-Luci6 cancer cells with high expression levels of UBA5[1].
UBA5-IN-1 (0.1-1000 μM) shows dose-dependent inhibition effect to UBA5 with an IC50 value of 4.0 μM, and inhibits UAE and NAE with IC50 values of 78.5 and 66.8 μM, respectively[1].
UBA5-IN-1 (0-5 μM) inhibits UBA5 non-competitively with respect to ATP[1].
UBA5-IN-1 (10 μM) shows no effect on ATP binding to human kinase[1].
UBA5-IN-1 (0-50 μM; 72 h) effects cell proliferation of Sk-Luci6 cancer cells with high expression levels of UBA5[1].

Reference

[1]. da Silva SR, et al. A selective inhibitor of the UFM1-activating enzyme, UBA5. Bioorg Med Chem Lett. 2016 Sep 15;26(18):4542-4547.
 [Content Brief]