Erastin

Base Information

• Chemical Name: Erastin
• CAS No.: 571203-78-6
• Molecular Formula: C30H31ClN4O4
• Molecular Weight: 547.054
• Hs Code.: 2933599590
• European Community (EC) Number: 637-217-0
• UNII: ZJA3NS42T9
• DSSTox Substance ID: DTXSID80458949
• Nikkaji Number: J1.886.747H
• Wikipedia: Erastin
• Wikidata: Q27166099
• Pharos Ligand ID: T2FW6KQ6CCNA
• ChEMBL ID: CHEMBL401989
• Mol file: 571203-78-6.mol

Synonyms:erastin

Chemical Property of Erastin

Chemical Property:

• Boiling Point: 721.9±70.0 °C(Predicted)
• PKA: 5.54±0.10(Predicted)
• PSA: 76.90000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 4.59780
• Storage Temp.: −20°C
• Solubility.: DMSO: soluble5mg/mL, clear (warmed)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 546.2033832
• Heavy Atom Count: 39
• Complexity: 871

Purity/Quality:

99% ^*data from raw suppliers

Erastin ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl
• Description: Erastin, named for eradicator of RAS and small T (ST) antigen-expressing cells, is a ferroptosis inducer. It induces ferroptotic cell death in vitro, an effect that can be blocked by the ferroptosis inhibitors ciclopirox olamine, Trolox , ferrostatin-1 , U-0126 , cycloheximide , and β-mercaptoethanol. Erastin (5 μM) inhibits cystine uptake by the system xc- cystine-glutamate transporter in HT-1080 fibrosarcoma and Calu-1 lung carcinoma cells and inhibits glutamate release in an enzyme-coupled fluorescence assay (EC50 = 1.2 μM). It also selectively induces cell death in cells expressing the SV40 small T oncoprotein and oncogenic Ras (IC50s = 1.25-5 μg/ml).
• Uses: Erastin has been used:as a positive control for inducing ferroptosis in hepatic stellate cell (HSC)to induce ferroptosis and in transferrin internalization assay of human fibrosarcoma HT1080 cellsto induce ferroptosis of muscle-derived cell lines Erastin, named for eradicator of RAS and ST-expressing cells, is an irreversible antitumor agent that selectively kills cells expressing the small T oncoprotein and oncogenic Ras (IC50s = 1.25-5 μg/ml). It produces non-apoptotic tumor cell death by altering mitochondrial voltage-dependent anion channel gating, allowing cations to enter mitochondria and leading to release of oxidative species causing oxidative cell death.[Cayman Chemical]