Imidazole ketone erastin (PUN30119) - ≥98% , CAS No.1801530-11-9

CAS: 1801530-11-9 Cat. No.: I414237 Peso molecular: 655.14

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Imidazole ketone erastin (PUN30119) - ≥98% CAS No(1801530-11-9) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%

Synonyms

IKE | IKE4(3H)-Quinazolinone,2-[[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]methyl]-3-[5-[2-(1H-imidazol-1-yl)acetyl]-2-(1-methylethoxy)phenyl]-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Size

Estado

Price

Qty

1mg

I414237-1mg

8-12 wks(?)

98,90US$

148,90US$
Guardar 50,00 US$ (33.58%)

5mg

I414237-5mg

209,90US$

314,90US$
Guardar 105,00 US$ (33.34%)

10mg

I414237-10mg

279,90US$

419,90US$
Guardar 140,00 US$ (33.34%)

25mg

I414237-25mg

8-12 wks(?)

612,90US$

919,90US$
Guardar 307,00 US$ (33.37%)

50mg

I414237-50mg

719,90US$

1.079,90US$
Guardar 360,00 US$ (33.34%)

100mg

I414237-100mg

949,90US$

1.424,90US$
Guardar 475,00 US$ (33.34%)

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Descripción general Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Information

Imidazole ketone erastin (PUN30119) Imidazole ketone erastin (PUN30119, IKE) is a potent, selective, and metabolically stable system xc– inhibitor and inducer of ferroptosis .

Targets

Ferroptosis ; system xc–

In vitro

Imidazole ketone erastin (IKE) is an erastin analog with nanomolar potency, high metabolic stability, and intermediate water solubility. Its treatment potently reduces DLBCL cell number.

Cell Research(from reference)

Cell lines：DLBCL cell line

Concentrations：0-100 μM

Incubation Time：24 h

Specifications

Sinónimos

IKE | IKE4(3H)-Quinazolinone, 2-[[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]methyl]-3-[5-[2-(1H-imidazol-1-yl)acetyl]-2-(1-methylethoxy)phenyl]-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Imidazole ketone erastin (PUN30119, IKE) is a potent, selective, and metabolically stable system xc– inhibitor and inducer of ferroptosis.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

ALogP	4.057
hba_count	7
Enlace rotable	11

Nombres e identificadores

Pubchem Sid	504772676
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772676
Sonrisas canónicas	CC(C)OC1=C(C=C(C=C1)C(=O)CN2C=CN=C2)N3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C(=O)COC6=CC=C(C=C6)Cl
IUPAC Name	2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3-[5-(2-imidazol-1-ylacetyl)-2-propan-2-yloxyphenyl]quinazolin-4-one
InChIKey	PSPXJPWGVFNGQI-UHFFFAOYSA-N
INCHI	1S/C35H35ClN6O5/c1-24(2)47-32-12-7-25(31(43)20-40-14-13-37-23-40)19-30(32)42-33(38-29-6-4-3-5-28(29)35(42)45)21-39-15-17-41(18-16-39)34(44)22-46-27-10-8-26(36)9-11-27/h3-14,19,23-24H,15-18,20-22H2,1-2H3
Isómeros SMILES	CC(C)OC1=C(C=C(C=C1)C(=O)CN2C=CN=C2)N3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C(=O)COC6=CC=C(C=C6)Cl
Peso molecular	655.14
Reaxy-Rn	28384661
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28384661&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

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Clase Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Quinazolines Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Pyrimidones Aralkylamines N-alkylpiperazines Chlorobenzenes N-substituted imidazoles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alkyl-phenylketone - Quinazoline - Benzoyl - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Alkyl aryl ether - Pyrimidone - N-alkylpiperazine - Aralkylamine - Aryl halide - N-substituted imidazole - Benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Pyrimidine - Aryl chloride - Azole - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
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

Estructura 3D

Objetivos asociados (humanos)

SLC7A11 Tchem Cystine/glutamate transporter (1 Activities)

Discover Target: SLC7A11

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

Liver (3974 Activities)

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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

DOHH-2 (352 Activities)

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

SU-DHL-6 (338 Activities)

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SU-DHL10 (113 Activities)

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

SU-DHL-16 (6 Activities)

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SU-DHL-2 (105 Activities)

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Objetivos asociados (no humanos)

Plasma (328 Activities)

Explore this target

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

Mecanismos de acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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.

5 results found

Lot Number	Certificate Type	Fecha	Articulo
F2625078	Certificate of Analysis	Jul 02, 2026	I414237
F2208411	Certificate of Analysis	Mar 04, 2025	I414237
F2208412	Certificate of Analysis	Mar 04, 2025	I414237
F2208413	Certificate of Analysis	Mar 04, 2025	I414237
L2418217	Certificate of Analysis	May 19, 2022	I414237

Propiedades químicas y físicas

Solubilidad	Solubility (25°C) In vitro DMSO: 100 mg/mL (152.63 mM); Ethanol: 33 mg/mL (50.37 mM); Water: Insoluble;
DMSO (mg/ml) Solubilidad máxima	100
DMSO (mM) Solubilidad máxima	152.639130567512
Agua (mg/ml) Solubilidad máxima	＜1
Peso molecular	655.100 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	654.236 Da
Monoisotopic Mass	654.236 Da
Topological Polar Surface Area	110.000 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1120.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Calculadoras de soluciones

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Reseñas

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Imidazole ketone erastin (PUN30119) - ≥98% , CAS No.1801530-11-9

Why this grade

Storage & shipping

Quality documents

Literature proof

Descripción general

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reseñas de cliente

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