EN4 - ≥98% , CAS No.1197824-15-9

CAS: 1197824-15-9 Cat. No.: E414489 Peso molecular: 416.47 Número EC: 860-739-7

GRADE & PURITY ≥98%

Synonyms

MS-27247 | N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide | benzamide,n-(2-(4-ethoxyphenoxy)phenyl)-4-(((1-oxo-2-propen-1-yl)amino)methyl)- | N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enamido)methyl]benzamide | SCHEMBL21392882 | EN300

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

EN4 EN4, a covalent ligand that targets cysteine 171 (C171) of MYC , is selective for c-MYC over N-MYC and L-MYC. EN4 inhibits MYC transcriptional activity, downregulates MYC targets, and impairs tumorigenesis.

Targets

MYC

In vitro

EN4 directly targets MYC in cells, reduces MYC and MAX thermal stability, inhibits MYC transcriptional activity, downregulates multiple MYC transcriptional targets, and impairs tumorigenesis. EN4 treatment significantly impairs 231MFP breast cancer cell proliferation in a dose- and time-dependent manner. EN4 impairs the cell survival of MYC transformed mammary epithelial MCF10A cells, but not parental MCF10A cells that are not dependent on MYC.

In vivo

EN4 treatment initiated after establishment of a 231MFP breast tumor xenograft in immune-deficient mice also significantly attenuates tumor growth in vivo.

Cell Research(from reference)

Cell lines：231MFP, MDA-MB-231, HEK293T and MCF10A cells 

Concentrations：50 μM 

Incubation Time：24 h 

Specifications

Sinónimos

MS-27247 | N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide | benzamide, n-(2-(4-ethoxyphenoxy)phenyl)-4-(((1-oxo-2-propen-1-yl)amino)methyl)- | N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enamido)methyl]benzamide | SCHEMBL21392882 | EN300

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

EN4, a covalent ligand that targets cysteine 171 (C171) of MYC, is selective for c-MYC over N-MYC and L-MYC. EN4 inhibits MYC transcriptional activity, downregulates MYC targets, and impairs tumorigenesis.

Condiciones de almacenamiento de almacenamiento

Protected from light, 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: 4.332
• hba_count: 4
• Recuento HBD: 2
• Enlace rotable: 9

Nombres e identificadores

• Pubchem Sid: 504770656
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770656
• Sonrisas canónicas: CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C
• IUPAC Name: N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide
• InChIKey: DKOWGKKELPCHEG-UHFFFAOYSA-N
• INCHI: 1S/C25H24N2O4/c1-3-24(28)26-17-18-9-11-19(12-10-18)25(29)27-22-7-5-6-8-23(22)31-21-15-13-20(14-16-21)30-4-2/h3,5-16H,1,4,17H2,2H3,(H,26,28)(H,27,29)
• Isómeros SMILES: CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C
• Peso molecular: 416.47
• Reaxy-Rn: 36045763
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36045763&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Diphenylethers Diarylethers Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Acrylic acids and derivatives Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Diphenylether - Diaryl ether - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Acrylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 83 mg/mL (199.29 mM); Water: Insoluble; Ethanol: Insoluble
• Sensibilidad: Light sensitive
• DMSO (mg/ml) Solubilidad máxima: 83
• DMSO (mM) Solubilidad máxima: 199.294066799529
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 416.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 416.174 Da
• Monoisotopic Mass: 416.174 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 580.000
• 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