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LIBX-A401

Cat No.:V138851 Purity: ≥98%
LIBX-A401 is a selective long-chain acyl-CoA synthase 4 (ACSL4) inhibitor with a human IC50 value of 0.38 μM and a Kd value of 0.72 μM.
LIBX-A401
LIBX-A401 Chemical Structure CAS No.: 3111845-07-6
Product category: Ferroptosis
This product is for research use only, not for human use. We do not sell to patients.
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5mg
10mg
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Product Description
LIBX-A401 is a selective long-chain acyl-CoA synthase 4 (ACSL4) inhibitor with a human IC50 of 0.38 μM and a Kd of 0.72 μM. LIBX-A401 binds to ACSL4 in an ATP-dependent manner, stabilizing its C-terminal domain, altering the fatty acid gating region, and interacting with A329 and Q302 residues within the fatty acid binding site. LIBX-A401 exhibits anti-ferroptosis properties in cells. LIBX-A401 may be used in research on cancer and Parkinson's disease.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
LIBX-A401 (0.38 ± 0.03 μM; maximum 50 μM; 10 μM) inhibited wild-type recombinant human ACSL4 with an IC50 of 0.38 ± 0.03 μM and a Kd of 0.72 ± 0.12 μM. It had no activity against recombinant human ACSL3 (IC50 > 50 μM) and no activity against PPARγ at 10 μM [1]. The IC50 values of LIBX-A401 against recombinant human ACSL4Q302M, ACSL4Q302A and ACSL4L325F mutants were 7.1 ± 0.6 μM, 2.4 ± 0.4 μM and 17.8 ± 3.8 μM, respectively, and the Kd values were 11.0 ± 1.6 μM, 8.6 ± 1.3 μM and 43.5 ± 5.4 μM, respectively [1]. LIBX-A401 (5 μM) can induce ATP-dependent changes in the thermal stability of wild-type recombinant human ACSL4, increasing its thermal stability by ΔTm to 5.3 ± 0.2 °C at a concentration of 5 μM [1]. LIBX-A401 (100 μM) can specifically bind to the fatty acid-gated domain peptide 313DTYIGYLPLAHVLELTAEISCFTYGCR339 of recombinant wild-type human ACSL4 in an ATP-dependent manner, which can be confirmed by competitive reduction assays labeled with photoaffinity probes [1]. LIBX-A401 (2.5 μM; pre-incubation for 24 hours) can protect HEK293 and HT-1080 cells from RSL3-induced ferroptosis [1]. LIBX-A401 (2.5 μM; pre-incubation for 4 hours) can protect LUHMES cells from arachidonic acid + Fe-induced ferroptosis and reduce lipid peroxidation levels [1]. LIBX-A401 (50 μM) does not have DPPH scavenging activity [1].
Cell Assay
Cell viability assay [1]
Cell Types: HEK293 and HT-1080 cells
Tested Concentrations: 2.5 μM (pre-incubation)
Incubation Duration: 24 hours (pre-incubation); 48 hours (RSL3 treatment)
Experimental Results: Significantly inhibited RSL3-induced cell death. Compared with the untreated control group exposed to RSL3, higher cell viability was maintained.
Cell viability assay [1]
Cell Types: LUHMES cells
Tested Concentrations: 2.5 μM (pre-incubation)
Incubation Duration: 4 hours (pre-incubation); 48 hours (arachidonic acid + Fe treatment)
Experimental Results: Significantly inhibited AA + Fe-induced cell death. Compared with the untreated control group exposed to AA + Fe, cell viability was maintained at a level comparable to that of ACSL4 siRNA transfected cells.
References

[1]. LIBX-A401: A Novel Selective Inhibitor of Acyl-CoA Synthetase Long Chain Family Member 4 (ACSL4) and Its Binding Mode. Angew Chem Int Ed Engl. 2025;64(19):e202500518.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C20H21NO4
Molecular Weight
339.39
CAS #
3111845-07-6
Appearance
White to off-white solid
SMILES
CN(CCOC1=CC=C(C=C1)/C=C/C(OC)=O)C(C2=CC=CC=C2)=O
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO : ~50 mg/mL (~147.32 mM; with sonication)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.37 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 canAdd 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of physiological saline: Dissolve 0.9 g of sodium chloride in double-distilled water and dilute to 100 mL to obtain clear physiological saline.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (7.37 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 canAdd 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD saline (4°C, store for one week): Dissolve 2 g of SBE-β-CD powder in 10 mL of saline until completely dissolved and clear.
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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (7.37 mM)(saturation unknown) in 10% DMSO + 90% Corn Oil (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 canAdd 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.9465 mL 14.7323 mL 29.4646 mL
5 mM 0.5893 mL 2.9465 mL 5.8929 mL
10 mM 0.2946 mL 1.4732 mL 2.9465 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.

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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