| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C26H40F6N10O11S2Zn |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
UBA5-IN-1 is a selective inhibitor of UBA5, acting with an IC50 of 4.0 μM. It inhibits proliferation of Sk-Luci6 cancer cells that express high levels of UBA5[1]. It is supplied as a white to off-white solid (C26H40F6N10O11S2Zn, MW 912.16) at 98.0% purity.
Physical & Chemical Properties
| CAS Number | 1831169-11-9 |
|---|---|
| Molecular Formula | C26H40F6N10O11S2Zn |
| Molecular Weight | 912.16 g/mol |
| Purity | 98.0% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.NC1=C(N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](C(NCCCCCC([N]45[Zn+2]67[N@@](CC[N]6([H])CC[N@]7([H])CC5)([H])CC4)=O)=O)O3)C2=NC=N1 |
| Signaling Pathway | Metabolic Enzyme/Protease |
| Solubility | In Vitro: DMF: 100 mg/mL (109.63 mM; Requires sonication) H2O: 50 mg/mL (54.81 mM; Requires sonication) DMSO: 50 mg/mL (54.81 mM; Requires sonication and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target
IC50: 4.0 μM (UBA5), 78.5 μM (UAE), 66.8 μM (NAE)[1]
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMF | 100 mg/mL (109.63 mM) | requires sonication |
| H2O | 50 mg/mL (54.81 mM) | requires sonication |
| DMSO | 50 mg/mL (54.81 mM) | requires sonication and warming and heat to 60°C; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
If water is used as the stock solvent, dilute to the working solution and sterilize it through a 0.22 μm filter before use.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 1.25 mg/mL (1.37 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 1.25 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (12.5 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 1.25 mg/mL (1.37 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 1.25 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (12.5 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 1.25 mg/mL (1.37 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 1.25 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (12.5 mg/mL) to 900 μL corn oil. |
Protocol 4
| Composition | 10% DMF + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 1.25 mg/mL (1.37 mM); clear solution |
Protocol 5
| Composition | 10% DMF + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 1.25 mg/mL (1.37 mM); clear solution |
Protocol 6
| Composition | 10% DMF + 90% Corn Oil |
|---|---|
| Result | ≥ 1.25 mg/mL (1.37 mM); clear solution |
Data provided by the manufacturer.
In Vitro
UBA5-IN-1 (0.1-1000 μM) dose-dependently inhibits UBA5 (IC50 value of 4.0 μM) and also inhibits UAE and NAE (IC50 values of 78.5 and 66.8 μM, respectively)[1]. Non-competitive inhibition of UBA5 with respect to ATP is observed with UBA5-IN-1 (0-5 μM)[1]. UBA5-IN-1 (10 μM) does not affect ATP binding to human kinase[1]. In Sk-Luci6 cancer cells with high UBA5 expression levels, UBA5-IN-1 (0-50 μM; 72 h) affects cell proliferation[1].
Cell Proliferation Assay[1]
| Cell Line | Sk-Luci6 cancer cells with high expression levels of UBA5 |
|---|---|
| Concentration | 0-50 μM |
| Incubation Time | 0-72 h |
| Result | Showed selective anti-proliferative activity for Sk-Luci6 cancer cells which expressed higher UBA5 protein levels, but showed no anti-proliferative activity to MRC9 lung fibroblasts and A549 carcinoma cells. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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UFMylation: A supervisor of the HIF1α pathway and a potential therapeutic target for anti-PD-1 combination therapy in hypoxic tumors. Proc Natl Acad Sci U S A 2025 Jul 8;122(27):e2500562122. PMID: 40601633
UFMylation maintains YAP stability to promote vascular endothelial cell senescence. iScience 2025 Jan 21;28(2):111854. PMID: 39991547
