| Field | Specification |
|---|---|
| Applications | |
| Molecular weight | |
| Molecular formula | C11H14ClN3 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
JBSNF-000028 hydrochloride is an orally active small-molecule inhibitor of the tricyclic enzyme nicotinamide N-methyltransferase (NNMT), with IC50 values of 33 nM, 210 nM, and 190 nM against human, mouse, and monkey NNMT, respectively. It can reduce endogenous MNA levels in U2OS osteosarcoma cells (EC50 2.5 μM) and shows significant anti-obesity and anti-diabetic activity in the diet-induced obesity (DIO) model, and can be used in studying metabolic diseases such as obesity, type 2 diabetes, and non-alcoholic fatty liver disease[1]. It is supplied as an off-white to light yellow solid (C11H14ClN3, MW 223.70) at 95.64% purity.
Physical & Chemical Properties
| Molecular Formula | C11H14ClN3 |
|---|---|
| Molecular Weight | 223.70 g/mol |
| Purity | 95.64% |
| Appearance | Solid |
| Color | Off-white to light yellow |
| SMILES | CN1CC2=C3C(CCN3C1=N)=CC=C2.Cl |
| Signaling Pathway | Metabolic Enzyme/Protease |
| Solubility | In Vitro: DMSO: 16.67 mg/mL (74.52 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 | 4°C, sealed storage, away from moisture and light. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target
IC50: 0.033 μM (hNNMT), 0.19 μM (mkNNMT), 0.21 μM (mNNMT)[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 |
|---|---|---|
| DMSO | 16.67 mg/mL (74.52 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); sealed storage, away from moisture and light; avoid repeated freeze-thaw cycles.
Data provided by the manufacturer.
In Vitro
In U2OS cells, 24 h treatment with JBSNF-000028 hydrochloride inhibits NNMT activity with an EC50 of 2.5 μM[1]. JBSNF-000028 hydrochloride (10-100 μM; 72 h) shows no cytotoxicity toward HepG2 cells[1]. JBSNF-000028 hydrochloride binds beneath a hairpin structural motif at the nicotinamide pocket, stacking between Tyr-204 (from Hairpin) and Leu-164 (from central domain)[1]. Against a broad panel of metabolism- and safety-related targets, JBSNF-000028 hydrochloride is inactive[1].
In Vivo
Given p.o. at 50 mg/kg twice daily for 27 days, JBSNF-000028 hydrochloride improves glucose and lipid handling in mice with diet-induced obesity (DIO)[1]. Given p.o. at 50 mg/kg twice daily for 4 weeks, JBSNF-000028 hydrochloride improves glucose tolerance in NNMT knockout mice with diet-induced obesity[1].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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