Erastin - Moligand™, ≥99% , CAS No.571203-78-6

CAS: 571203-78-6 Cat. No.: E126853 Formula: C30H31ClN4O4 Molecular Weight: 547.04 EC Number: 637-217-0
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
2-(1-(4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)ethyl)-3-(2-ethoxyphenyl)quinazolin-4(3H)-one | MFCD09837984 | 2-[1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-Quinazolinone | 2-(1-(4-(2-(4-Chlorophenoxy)acetyl)-1-pipera
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Size
USA
Germany (EU)*
Price
Qty
5mg
E126853-5mg
2 In stock
—
$29.90
25mg
E126853-25mg
3 In stock
—
$99.90
100mg
E126853-100mg
3 In stock
—
$249.90
500mg
E126853-500mg
2 In stock
—
$899.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 39 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Erastin is a cell-permeable piperazinyl-quinazolinone. It interacts with antiporter system Xc-.


Application:

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 cells
to induce ferroptosis of muscle-derived cell lines

Specifications

Synonyms
2-(1-(4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)ethyl)-3-(2-ethoxyphenyl)quinazolin-4(3H)-one | MFCD09837984 | 2-[1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-Quinazolinone | 2-(1-(4-(2-(4-Chlorophenoxy)acetyl)-1-pipera
Specifications & Purity
Moligand™, ≥99%
Biochemical and Physiological Mechanisms
Description:IC50 Value: 0.1 uM (VDAC-2) [1]Erastin is a compound that interacts with VDAC, blocked and reversed mitochondrial depolarization after microtubule destabilizers in intact cells and antagonized tubulin-induced VDAC blockage in planar bilayers.V
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ACTIVATOR
Note
Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥99%
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504766167
Canonical Smiles
CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl
IUPAC Name
2-[1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
InChIKey
BKQFRNYHFIQEKN-UHFFFAOYSA-N
INCHI
1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3
Isomeric SMILES
CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl
WGK Germany
3
Molecular Weight
547.04
Reaxy-Rn
14580272
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14580272&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Not available
Direct ParentQuinazolines
Alternative Parents Phenoxy compounds  Phenol ethers  Pyrimidones  Alkyl aryl ethers  Aralkylamines  N-alkylpiperazines  Chlorobenzenes  Aryl chlorides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Trialkylamines  Amino acids and derivatives  Lactams  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinazoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Amine - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SLC7A11 Tchem Cystine/glutamate transporter (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VDAC2 Tchem Voltage-dependent anion-selective channel protein 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
A673 (619 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Calu-1 (518 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-1080 (3966 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-N-MC (815 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-937 (7138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BJ (6930 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOS (906 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-ES1 (32 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDAC2 Tchem Voltage-dependent anion-selective channel protein 2 (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC7A11 Tchem Cystine/glutamate transporter (150 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK3 Tchem Mitogen-activated protein kinase; ERK1/ERK2 (651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-LMS-1 (121 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW982 (212 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SJSA-1 (970 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW872 (162 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
C-33-A (287 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SVR (53 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

21 results found

Lot NumberCertificate TypeDateItem
L2205573Certificate of AnalysisJun 09, 2026 E126853
L2205572Certificate of AnalysisJun 09, 2026 E126853
G2524060Certificate of AnalysisAug 01, 2025 E126853
H2525471Certificate of AnalysisJul 30, 2025 E126853
H2525470Certificate of AnalysisJul 30, 2025 E126853
H2525469Certificate of AnalysisJul 30, 2025 E126853
H2525468Certificate of AnalysisJul 30, 2025 E126853
H2328430Certificate of AnalysisJun 10, 2025 E126853
H2328432Certificate of AnalysisJun 10, 2025 E126853
G2430349Certificate of AnalysisJun 21, 2024 E126853
G2430350Certificate of AnalysisJun 21, 2024 E126853
G2430351Certificate of AnalysisJun 21, 2024 E126853
C2426003Certificate of AnalysisAug 10, 2023 E126853
H2328431Certificate of AnalysisAug 10, 2023 E126853
L2205441Certificate of AnalysisNov 22, 2022 E126853
L2205576Certificate of AnalysisNov 22, 2022 E126853
F2209177Certificate of AnalysisMay 19, 2022 E126853
F2209175Certificate of AnalysisMay 19, 2022 E126853
F2209128Certificate of AnalysisMay 19, 2022 E126853
F2209101Certificate of AnalysisMay 19, 2022 E126853
C2221030Certificate of AnalysisMar 24, 2022 E126853
Chemical and Physical Properties
Solubility25°C: DMSO
Sensitivityair & heat sensitive
Molecular Weight547.000 g/mol
XLogP34.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass546.203 Da
Monoisotopic Mass546.203 Da
Topological Polar Surface Area74.700 Ų
Heavy Atom Count39
Formal Charge0
Complexity871.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Targeted drug discovery: scarce and inefficient, what is the geometry of its effectiveness?
The Drug Target Potential of the GPX Family in Lipid Peroxidation Defense, Ferroptosis Regulation, and Organ Injury Protection
Molecular Basis of Ferroptosis-Immune Metabolism Crosstalk
Neuropathological Mechanisms of Cerebral Infarction
Summary of Research Advances in Oxidative Stress
EGF Signaling: Tracking the path of Cancer
Apoptosis Signaling Pathways and Regulated Cell Death Research
Membrane Transporters and Ion Channels: How Transmembrane Substance Flux Drives Cellular Signaling and Functional Regulation
Membrane Transporters and Ion Channels: How Transmembrane Substance Flux Drives Cellular Signaling and Functional Regulation
From Metabolic Flux to Protein Degradation: How Metabolic Enzymes and Protein Degradation Systems Jointly Regulate Cell Fate
Molecular Mechanisms, Detection Methods, and Disease Research Applications of Pyroptosis
ERAD, ER-phagy, and Cell-Fate Regulation of Misfolded Proteins Under Endoplasmic Reticulum Stress
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

Frequently Asked Questions

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 571203-78-6, the molecular formula is C30H31ClN4O4, and the molecular weight is 547.04 g/mol. InChIKey BKQFRNYHFIQEKN-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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