| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
Ly93 targets sphingomyelin synthase 2 (SMS2), an enzyme that catalyzes the conversion of ceramide to sphingomyelin. SMS2 is a key enzyme in sphingolipid metabolism and plays a role in the regulation of ceramide levels, which are important for cell signaling, apoptosis, and inflammation. Ly93 is a selective inhibitor with an IC50 of 91 nM.
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| ln Vitro |
In vitro, Ly93 selectively inhibits SMS2 with an IC50 of 91 nM. By inhibiting SMS2, the compound increases ceramide levels and decreases sphingomyelin production, which can affect cell signaling pathways involved in inflammation and lipid metabolism. The compound's selectivity for SMS2 over other enzymes in the sphingolipid pathway makes it a valuable tool for studying SMS2 biology.
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| ln Vivo |
In C57BL/6J mice, Ly93 (100 mg/kg, ig once daily for seven days) dramatically decreased plasma SM levels [1]. Ly93 dose-dependently reduced the amount of macrophages in atherosclerotic lesions and the lesions themselves in the root and entire aorta in apolipoprotein E knockout mice [1].
In vivo, Ly93 has been evaluated in preclinical models of atherosclerosis and other metabolic disorders. As an orally active SMS2 inhibitor, it has demonstrated efficacy in modulating sphingolipid metabolism and reducing atherosclerotic plaque formation. The compound's ability to increase ceramide levels while decreasing sphingomyelin may contribute to its anti-atherosclerotic effects. |
| Enzyme Assay |
In vitro enzyme assays for SMS2 inhibition involve incubating microsomal preparations containing SMS2 enzyme with ceramide and phosphatidylcholine in the presence of varying concentrations of Ly93. The production of sphingomyelin is measured using radioactive or LC-MS/MS methods. IC50 values are calculated from dose-response curves to determine the compound's potency.
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| Cell Assay |
Cellular assays are performed using various cell lines, including macrophages and hepatocytes. Cells are treated with Ly93 at various concentrations, and sphingomyelin and ceramide levels are measured by LC-MS/MS. Inflammatory markers and lipid accumulation are assessed to evaluate the biological effects of SMS2 inhibition.
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| Animal Protocol |
Animal/Disease Models: C57BL/6J mouse[1].
Doses: 100 mg/kg. Route of Administration: IG (intragastric (po) (po)administration) one time/day for 7 days. Experimental Results: Plasma SM levels were Dramatically diminished compared to the vehicle group. Animal/Disease Models: ApoE KO mice (8 weeks old) [1]. Doses: 12.5 or 40 mg/kg. Route of Administration: IG (intragastric (po) (po)administration) one time/day. Experimental Results: There were no statistical changes in the plasma levels of ALT and AST in apoE KO mice compared with the control group. In vivo studies are conducted in mouse models of atherosclerosis, such as ApoE knockout mice fed a high-fat diet. Ly93 is administered orally at various doses. Serum lipid profiles, including cholesterol and triglyceride levels, are measured. Atherosclerotic plaque formation in the aorta is assessed by en face Oil Red O staining. Sphingomyelin and ceramide levels in tissues are measured by LC-MS/MS. |
| ADME/Pharmacokinetics |
Ly93 (molecular weight 443.54, formula C₂₆H₂₉N₃O₄) is a small-molecule compound. It is orally active and soluble in DMSO. The compound is typically stored at -20°C. Its physicochemical properties support oral bioavailability and favorable drug-like characteristics.
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| Toxicity/Toxicokinetics |
Preclinical toxicity studies have evaluated Ly93 in animal models. As an SMS2 inhibitor, its toxicity profile is related to modulation of sphingolipid metabolism. No significant toxicity has been reported at therapeutic doses. The compound's safety profile supports its use in research applications for studying atherosclerosis and metabolic disorders.
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| References | |
| Additional Infomation |
Ly93 is a selective and orally active SMS2 inhibitor developed for the study of atherosclerosis and other metabolic disorders. Its mechanism involves inhibiting SMS2, thereby increasing ceramide levels and decreasing sphingomyelin production. By modulating sphingolipid metabolism, the compound may exert anti-inflammatory and anti-atherosclerotic effects. Ly93 is primarily used as a research tool and has not received regulatory approval for clinical use.
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| Molecular Formula |
C21H20N2O2
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|---|---|
| Molecular Weight |
332.395705223084
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| Exact Mass |
332.152
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| CAS # |
1883528-69-5
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| PubChem CID |
118911741
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
25
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| Complexity |
415
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1=CC=CC=C1C(NC1C=NC=CC=1)=O)CC1C=CC=CC=1CC
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| InChi Key |
YRUSTWBJNUPPQI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H20N2O2/c1-2-16-8-3-4-9-17(16)15-25-20-12-6-5-11-19(20)21(24)23-18-10-7-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24)
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| Chemical Name |
2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~752.11 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.26 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.26 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.26 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0084 mL | 15.0421 mL | 30.0842 mL | |
| 5 mM | 0.6017 mL | 3.0084 mL | 6.0168 mL | |
| 10 mM | 0.3008 mL | 1.5042 mL | 3.0084 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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