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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Targets |
Erastin2 targets the system xc- cystine/glutamate transporter, an antiporter that exchanges extracellular cystine for intracellular glutamate. Inhibition of this transporter leads to depletion of intracellular cysteine, which is required for glutathione synthesis. Glutathione depletion results in lipid peroxidation and ferroptotic cell death. Erastin2 is a potent and specific inhibitor of this transporter system.
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| ln Vitro |
In vitro, Erastin2 is a potent inhibitor of the system xc- cystine/glutamate transporter, with an IC50 of 0.0035 µM for inhibiting glutamate release in CCF-STTG1 cells. It induces ferroptosis in various cancer cell lines, including HAP1 cells, at a concentration of 5 µM. This effect is blocked by ferroptosis inhibitors like ferrostatin-1 and deferoxamine.
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| ln Vivo |
In vivo, Erastin2 is used as a research tool to induce ferroptosis in animal models. However, specific in vivo efficacy data in animal models are not detailed in the provided literature. As a ferroptosis inducer, it has potential for studying the role of ferroptosis in cancer and other diseases.
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| Enzyme Assay |
The in vitro transporter inhibition assay for Erastin2 involves measuring the uptake of cystine or the release of glutamate in cells expressing the system xc- transporter. The IC50 of 0.0035 µM for inhibiting glutamate release in CCF-STTG1 cells is determined. The compound’s ability to deplete intracellular glutathione and induce lipid peroxidation is also measured.
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| Cell Assay |
In vitro cell-based assays for Erastin2 involve treating cancer cells with the compound and assessing cell viability, lipid peroxidation (e.g., using C11-BODIPY 581/591), and glutathione levels. The induction of ferroptosis is confirmed by rescue experiments with ferrostatin-1 or deferoxamine. The compound’s effects on cell death pathways are evaluated.
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| Animal Protocol |
In vivo animal studies for Erastin2 would likely involve xenograft mouse models of cancer. Tumor-bearing mice would be treated with Erastin2, and tumor growth inhibition would be monitored. Biomarkers of ferroptosis, such as lipid peroxidation and glutathione depletion, would be assessed in tumor tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Erastin2 are not detailed in the provided literature. The compound is soluble in DMSO (1 mg/ml) and DMF (10 mg/ml). For storage, it should be kept at -20°C.
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| Toxicity/Toxicokinetics |
No specific toxicity data for Erastin2 are available in the provided literature. As a ferroptosis inducer, it is expected to have cytotoxicity in cells sensitive to ferroptosis. The compound is for research use only.
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| References |
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| Additional Infomation |
Erastin2 is a ferroptosis inducer and system xc- inhibitor. It is an analog of Erastin. It induces cell death that can be blocked by ferrostatin-1. It is for research use only. Its CAS number is 1695533-44-8.
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| Molecular Formula |
C36H35CLN4O4
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|---|---|
| Molecular Weight |
623.14
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| Exact Mass |
622.234
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| CAS # |
1695533-44-8
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| PubChem CID |
155928635
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
807.0±75.0 °C at 760 mmHg
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| Flash Point |
441.8±37.1 °C
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| Vapour Pressure |
0.0±2.9 mmHg at 25°C
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| Index of Refraction |
1.638
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| LogP |
6.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
45
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| Complexity |
1020
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)OC1=C(C=C(C=C1)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C(=O)COC6=CC=C(C=C6)Cl
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| InChi Key |
WLPHOTYCGOGILE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C36H35ClN4O4/c1-25(2)45-33-17-12-27(26-8-4-3-5-9-26)22-32(33)41-34(38-31-11-7-6-10-30(31)36(41)43)23-39-18-20-40(21-19-39)35(42)24-44-29-15-13-28(37)14-16-29/h3-17,22,25H,18-21,23-24H2,1-2H3
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| Chemical Name |
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3-(5-phenyl-2-propan-2-yloxyphenyl)quinazolin-4-one
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~100 mg/mL (~160.48 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6048 mL | 8.0239 mL | 16.0478 mL | |
| 5 mM | 0.3210 mL | 1.6048 mL | 3.2096 mL | |
| 10 mM | 0.1605 mL | 0.8024 mL | 1.6048 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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