4E1RCat - ≥95% , CAS No.328998-25-0

CAS: 328998-25-0 Cat. No.: E345401 Fórmula: C₂₈H₁₈N₂O₆ Peso molecular: 478.45

CALIDAD & PUREZA ≥95%

Synonyms

4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

4E1RCat is an inhibitor of protein translation that has been shown to prevent eIF4E:eIF4G and eIF4E:4E-BP1 interaction. This compound blocks assembly of the eIF4F complex and inhibits cap-dependent translation.

Application：

4E1RCat was used to inhibit new protein synthesis in transformed primary chicken embryo fibroblasts.

Especificaciones

Sinónimos

4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid

Especificaciones y pureza

≥95%

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.

Tipo de acción

INHIBITOR

Pureza

≥95%

Propiedades del producto

pKa

pKa: 4.33 (Predicted)

Nombres e identificadores

Pubchem Sid

504772432

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772432

Sonrisas canónicas

C1=CC=C(C=C1)C2=CC(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2C5=CC=C(C=C5)C(=O)O

IUPAC Name

4-[(3Z)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid

InChIKey

BBQRBOIMSKMFFO-PGMHBOJBSA-N

INCHI

1S/C28H18N2O6/c31-27-21(16-24-14-15-26(36-24)19-6-12-23(13-7-19)30(34)35)17-25(18-4-2-1-3-5-18)29(27)22-10-8-20(9-11-22)28(32)33/h1-17H,(H,32,33)/b21-16-

Isómeros SMILES

C1=CC=C(C=C1)C2=C/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/C(=O)N2C5=CC=C(C=C5)C(=O)O

WGK Alemania

3

Peso molecular

478.45

Reaxy-Rn

39858347

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39858347&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Phenylpyrrolines Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Lactams Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - 1-phenylpyrroline - 2-phenylpyrroline - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Furan - Heteroaromatic compound - Pyrrole - Pyrroline - Tertiary carboxylic acid amide - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (≥5 mg/ml).
• Índice de refracción: n20D1.71 (Predicted)
• Punto de ebullición (°C): 764.78° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 310.74° C (Predicted)
• Peso molecular: 478.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 478.116 Da
• Monoisotopic Mass: 478.116 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 901.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1