| Field | Specification |
|---|---|
| Alternative names | BMS-852927 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C29H28Cl2F2N2O4S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
XL041, also known as BMS-852927, is an LXRβ-selective agonist. It is supplied as a white to off-white solid (C29H28Cl2F2N2O4S, MW 609.51) at 98.80% purity.
Physical & Chemical Properties
| CAS Number | 1256918-39-4 |
|---|---|
| Molecular Formula | C29H28Cl2F2N2O4S |
| Molecular Weight | 609.51 g/mol |
| Purity | 98.80% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | OC(C)(C)C1=CN(C2=CC=C(C3=CC(S(=O)(C)=O)=C(CO)C(F)=C3)C=C2F)C(C(C)(C4=C(Cl)C=CC=C4Cl)C)=N1 |
| Signaling Pathway | Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor |
| Solubility | In Vitro: DMSO: 100 mg/mL (164.07 mM; Requires sonication; 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, 2 years; -20°C, 1 year. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
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 | 100 mg/mL (164.07 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 2 years) or -20°C (up to 1 year); 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% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (4.10 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 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% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (4.10 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 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% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (4.10 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
XL041 (BMS-852927) is an LXRβ-selective agonist, showing 20% LXRα and 88% LXRβ activity relative to a full pan agonist in transactivation assays. XL041 is potent in an in vitro human whole-blood endogenous target gene activation assay (WBA), with an EC50=9 nM and 26% activity. BMS-852927 binds LXRα and LXRβ with similar affinity (19 and 12 nM, respectively)[1].
In Vivo
At efficacious doses in cynomolgus monkeys and mice, XL041 (BMS-852927) shows a very favorable profile. In C57BL/6J mice, 7 days of XL041 pre-treatment produces potent, dose-dependent stimulation of cholesterol efflux, peaking at 70% above vehicle in the initial efflux rate in the 3 mg/kg/day dose group. LDLR knockout (KO) mice give similar results. In a separate 12 week study in LDLR KO mice, XL041 inhibits the progression of atherosclerosis. Notably, the dose response for inhibition of atherosclerosis (0.1-3 mg/kg/day) resembles the dose response for stimulation of macrophage reverse cholesterol transport (RCT) (0.03-3 mg/kg/day), which is a major underlying mechanism by which LXR agonists influence the disease[1].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
Kinase Assay[1]
Prepare peritoneal macrophages from male C57BL/6 mice stimulated with 4% thioglycolate for 4 days. Culture the macrophages in DMEM supplemented with 20% FBS and 100 U/mL antibiotic-antimycotic. Incubate macrophages with LXR agonists (eg, XL041) in serum-free DMEM for 20hrs, then treat with LPS (20 ng/mL) for 5hr. Determine the effect of the agonists on IL-23α and Mertk mRNAs[1].
Animal Administration[1]
Mice[1] To study the effects of LXR agonists on neutrophils, randomly assign C57BL/6 mice pre-acclimated to oral dosing (n=8/group) to vehicle; 0.03, 0.1, 1, or 3 mg/kg/day XL041; or 0.3 or 3 mg/kg/day GW3965, and dose orally for 3 days. After isoflurane anesthesia, collect blood by retro-orbital bleeding and analyze neutrophil levels on an Advia hematology instrument using peroxidase staining. Monkeys[1] Perform all studies in male animals. In a PD study, randomize animals into six treatment groups (n=3/group) and dose once daily for 14 days with vehicle, 10 mg/kg/day T0901317, or 0.1, 0.3, 1, or 3 mg/kg/day XL041. Determine blood RNA and plasma lipids at baseline and on days 1, 4, 7, and 14 of dosing for the pharmacodynamic (PD) study, and, for the liver triglyceride (TG) magnetic resonance spectroscopy (MRS) study, on days 1 and 7.
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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