| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C31H49N5O2 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
UNC0737 is an orthosteric inhibitor of choline kinase. It is also a poor inhibitor of G9a (IC50 = 5000 nM) and GLP (IC50 > 10000 nM) in SAHH-coupled assays[1]. It is supplied as a white to light yellow solid (C31H49N5O2, MW 523.75) at 99.70% purity.
Physical & Chemical Properties
| CAS Number | 1327276-39-0 |
|---|---|
| Molecular Formula | C31H49N5O2 |
| Molecular Weight | 523.75 g/mol |
| Purity | 99.70% |
| Appearance | Solid |
| Color | White to light yellow |
| SMILES | CN(C1CCN(C(C)C)CC1)C2=NC(C3CCCCC3)=NC4=C2C=C(OC)C(OCCCN5CCCC5)=C4 |
| Signaling Pathway | Neuronal Signaling |
| Solubility | In Vitro: Ethanol: 100 mg/mL (190.93 mM; Requires sonication) DMSO: 20 mg/mL (38.19 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 | -20°C, stored under nitrogen, away from moisture. In solvent: -80°C, 6 months; -20°C, 1 month (stored under nitrogen, away from moisture). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description. Peer-reviewed publications that used this product are listed under References.
[1]. Bauer L G, et al. Phänomik-basierte Entdeckung neuer orthosterischer Cholinkinase Inhibitoren[J]. Angew. Chem. Int. Ed, 2025: e202420149.
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 |
|---|---|---|
| Ethanol | 100 mg/mL (190.93 mM) | requires sonication |
| DMSO | 20 mg/mL (38.19 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); stored under nitrogen, away from moisture; avoid repeated freeze-thaw cycles.
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% EtOH + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 5 mg/mL (9.55 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL EtOH stock (50.0 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% EtOH + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 5 mg/mL (9.55 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL EtOH stock (50.0 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% EtOH + 90% Corn Oil |
|---|---|
| Result | ≥ 5 mg/mL (9.55 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL EtOH stock (50.0 mg/mL) to 900 μL corn oil. |
Protocol 4
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2 mg/mL (3.82 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (20.0 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 5
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2 mg/mL (3.82 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (20.0 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 6
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2 mg/mL (3.82 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2 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 (20.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
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