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SMS2-IN-2

Name: SMS2-IN-2
Brand: TargetMol
SKU: T7263
Price: 116 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T7263Cas No. 2241838-28-6

Alias SMS2 inhibitors

SMS2-IN-2 (SMS2 inhibitors) is a potent, selective and orally active sphingomyelin synthase 2 (SMS2) inhibitor, (IC50s of 100 and 56 μM for SMS2 and SMS1, respectively). SMS2-IN-2 has anti-chronic inflammatory activity.

SMS2-IN-2

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Purity: 98%

Catalog No. T7263Alias SMS2 inhibitorsCas No. 2241838-28-6

Pack Size	Price	USA Warehouse	Global Warehouse
1 mg	$116	In Stock	In Stock
2 mg	$169	In Stock	In Stock
5 mg	$288	In Stock	In Stock
10 mg	$449	In Stock	In Stock
25 mg	$739	In Stock	In Stock
50 mg	$987	-	In Stock
100 mg	$1,390	-	In Stock
1 mL x 10 mM (in DMSO)	$295	In Stock	In Stock

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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]

All TargetMol products are for research purposes only and cannot be used for human consumption. We do not provide products or services to individuals. Please comply with the intended use and do not use TargetMol products for any other purpose.

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Purity:98%

Appearance:Solid

Color:White

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COA LCMS HNMR

Product Introduction

SMS2-IN-2 AI Summary

SMS2-IN-2 exhibits potent bioactivity, prominently inhibiting human SMS2 with an IC50 of 100.0 nM while showing a high selectivity ratio for SMS2 over SMS1 (560.0). It also inhibits human SMS1 although with a significantly higher IC50 of 56000.0 nM and demonstrates 44.0% inhibition at 50 µM. In a db/db mouse model, it displays notable anti-inflammatory activity by reducing SM (d18:1/16:0) levels in white adipose tissue by 20.0%. Pharmacokinetic studies in ICR mice reveal it has good oral bioavailability (F value of 56.0%) with a Tmax of 2.2 hours, Cmax of 1379.2 nM, and half-life (T1/2) of 2.3 hours following a 20 mg/kg oral dose. The AUC (0 to 24 hrs) is 1900.0 ng.hr.mL-1 post oral administration, while intravenous administration at 10 mg/kg demonstrates a volume of distribution (Vd) of 12.5 L.kg-1, a clearance (CL) of 103.33 mL.min-1.kg-1, and an AUC (0 to 24 hrs) of 1700.0 ng.hr.mL-1..

Note: Summary generated by AI. Data source: ChEMBL

Bioactivity

Description	SMS2-IN-2 (SMS2 inhibitors) is a potent, selective and orally active sphingomyelin synthase 2 (SMS2) inhibitor, (IC50s of 100 and 56 μM for SMS2 and SMS1, respectively). SMS2-IN-2 has anti-chronic inflammatory activity.
Targets&IC50	SMS2:100 nM (IC50), SMS1:56 μM (IC50)
Synonyms	SMS2 inhibitors

Chemical Properties

Molecular Weight	369.78
Formula	C₁₉H₁₃ClFN₃O₂
Cas No.	2241838-28-6
Smiles	Fc1ccc(Cl)c(COc2cccc3onc(Nc4cccnc4)c23)c1
Relative Density.	1.423 g/cm3 (Predicted)

Storage & Solubility Information

Storage

In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Solubility Information

DMSO: 250 mg/mL (676.08 mM), Sonication is recommended.

In Vivo Formulation

10% DMSO+40% PEG300+5% Tween 80+45% Saline: 5 mg/mL (13.52 mM), Sonication is recommended.

Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	2.7043 mL	13.5216 mL	27.0431 mL	135.2155 mL
5 mM	0.5409 mL	2.7043 mL	5.4086 mL	27.0431 mL
10 mM	0.2704 mL	1.3522 mL	2.7043 mL	13.5216 mL
20 mM	0.1352 mL	0.6761 mL	1.3522 mL	6.7608 mL
50 mM	0.0541 mL	0.2704 mL	0.5409 mL	2.7043 mL
100 mM	0.0270 mL	0.1352 mL	0.2704 mL	1.3522 mL

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments

and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent

10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO TargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO TargetMol | reagent stock solution to 400 μL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH₂O TargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

You can also refer to dose conversion for different animals. More Dose Conversion

Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc