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

CAS: 571203-78-6 Cat. No.: E126853 Formule: C₃₀H₃₁ClN₄O₄ Poids moléculaire: 547.04 Numéro CE: 637-217-0

GRADE & PURITY Moligand™, ≥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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

Moligand™, ≥99%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ACTIVATOR

Note

Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504766167

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766167

Sourires canoniques

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

Isomères SMILES

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl

WGK Allemagne

3

Poids moléculaire

547.04

Reaxy-Rn

14580272

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14580272&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• 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 Framework: Aromatic 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
• Description: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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SLC7A11 Tchem Cystine/glutamate transporter (3 Activities)

Discover Target: SLC7A11

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

VDAC2 Tchem Voltage-dependent anion-selective channel protein 2 (1 Activities)

Discover Target: VDAC2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

A673 (619 Activities)

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Calu-1 (518 Activities)

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HL-60 (67320 Activities)

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HT-1080 (3966 Activities)

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SK-N-MC (815 Activities)

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U2OS (164939 Activities)

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U-937 (7138 Activities)

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A549 (127892 Activities)

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BJ (6930 Activities)

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MIA PaCa-2 (5949 Activities)

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HCT-116 (91556 Activities)

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HOS (906 Activities)

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HepG2 (196354 Activities)

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SK-ES1 (32 Activities)

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LNCaP (8286 Activities)

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HeLa (62764 Activities)

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Liver (3974 Activities)

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VDAC2 Tchem Voltage-dependent anion-selective channel protein 2 (5 Activities)

Discover Target: VDAC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC7A11 Tchem Cystine/glutamate transporter (150 Activities)

Discover Target: SLC7A11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK3 Tchem Mitogen-activated protein kinase; ERK1/ERK2 (651 Activities)

Discover Target: MAPK3

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SK-LMS-1 (121 Activities)

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SW982 (212 Activities)

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SJSA-1 (970 Activities)

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SW872 (162 Activities)

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C-33-A (287 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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SVR (53 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 25°C: DMSO
• Sensibilité: air ＆ heat sensitive
• Poids moléculaire: 547.000 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 546.203 Da
• Monoisotopic Mass: 546.203 Da
• Topological Polar Surface Area: 74.700 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 871.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux 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.