Art. -Nr.: HY-102041

SMS2-IN-1

3 Cited Publications

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Based on 3 publication(s) in Google Scholar

SMS2-IN-1 is a potent and highly selective sphingomyelin synthase 2 (SMS2) inhibitor with an IC₅₀ of 6.5 nM and a K_d of 37 nM. SMS2-IN-1 shows 150-fold selectivity for SMS2 over SMS1 (IC₅₀ of 1000 nM).

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Reinheit: 98.00%
CAS. Nr.: 2098890-15-2
Formel: C₃₄H₃₇F₆N₃O₅
Molecular Weight:681.67

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

SMS2-IN-1 Chemical Structure

CAS. Nr.: 2098890-15-2

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- In Vitro
Chemical Information
Publications (3)
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

IC50: 6.5 nM (SMS2), 1000 nM (SMS1)^[1]
Kd: 37 nM (SMS2)^[1]

Alle Phospholipase Isoform-spezifische Produkte anzeigen :

In Vitro

AS/MS binding experiments are conducted using these SMS2-mutant membrane fractions, SMS2-IN-1 (compound 2) binds to the S217A, H272A, and D276A mutants. S227 and H229 are pivotal amino acid residues for the binding of SMS2-IN-1 to SMS2^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Chemical Information

CAS. Nr. 2098890-15-2
Appearance Solid
Molecular Weight 681.67
Formel C₃₄H₃₇F₆N₃O₅
Color White to off-white
SMILES

O=C1C(C(N(CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C)=O)=C(OCCCC3CCN(C(OC4(CC4)C)=O)CC3)C5=CC=CC=C5N1C
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Publications (3)

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Journal Impact Factor

Nat Commun

The formation of the 'footprint of death' as a mechanism for generating large substrate-bound extracellular vesicles that mark the site of cell death. [Abstract]

2025 Oct 15;16(1):9160. PMID: 41093830
Cell Discov

Bacterial toxins induce non-canonical migracytosis to aggravate acute inflammation. [Abstract]

2024 Nov 5;10(1):112. PMID: 39500876
Elife

Engineered migrasomes provide a robust and thermally stable vaccination platform. [Abstract]

2025 Nov 13:13:RP97621. PMID: 41231123

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 27.78 mg/mL (40.75 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

1.4670 mL

7.3349 mL

14.6699 mL

5 mM

0.2934 mL

1.4670 mL

2.9340 mL

10 mM

0.1467 mL

0.7335 mL

1.4670 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molaritätsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (3.67 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (273 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Adachi R, et al. Discovery and characterization of selective human sphingomyelin synthase 2 inhibitors. Eur J Med Chem. 2017 Aug 18;136:283-293. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	1.4670 mL	7.3349 mL	14.6699 mL	36.6746 mL
	5 mM	0.2934 mL	1.4670 mL	2.9340 mL	7.3349 mL
	10 mM	0.1467 mL	0.7335 mL	1.4670 mL	3.6675 mL
	15 mM	0.0978 mL	0.4890 mL	0.9780 mL	2.4450 mL
	20 mM	0.0733 mL	0.3667 mL	0.7335 mL	1.8337 mL
	25 mM	0.0587 mL	0.2934 mL	0.5868 mL	1.4670 mL
	30 mM	0.0489 mL	0.2445 mL	0.4890 mL	1.2225 mL
	40 mM	0.0367 mL	0.1834 mL	0.3667 mL	0.9169 mL

Keywords

SMS2-IN-1

3 Cited Publications

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SMS2-IN-1

MCE Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) SMS2-IN-1

Alle Phospholipase Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Publications (3)

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

SMS2-IN-1

MCE Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) SMS2-IN-1

Alle Phospholipase Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Publications (3)

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

SMS2-IN-1 Related Classifications

HY-102041 Related Classifications