Compound 6877002 - ≥98% , CAS No.433249-94-6

CAS: 433249-94-6 Cat. No.: C275134 Peso molecular: 251.32 Número EC: 809-295-8

GRADE & PURITY ≥98%

Synonyms

F6176-1973 | (2E)-3-[(2,5-DIMETHYLPHENYL)AMINO]-1-PHENYLPROP-2-EN-1-ONE | AKOS027470222 | 3-((2,5-Dimethylphenyl)amino)-1-phenylprop-2-en-1-one | TRAF-STOP inhibitor 6877002 | AKOS040742773 | CD40-TRAF6 inhibitor | SCHEMBL15614836 | (E)-3-((2,5-dimethylph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product Application：

CD40-TRAF6 signaling inhibitor has been used to treat human embryonic kidney (HEK)-293T cells to test its inhibitory effect on the tumor necrosis factor receptor (TNFR)-associated factor 6 (TRAF6) leading to subsequent abrogation of (P2RY6)-dependent nuclear factor kappa B (NF-κB). 

Product Description：

TRAF-STOP inhibitor 6877002, is a selective inhibitor of CD40-TRAF6 interaction, compound VII, shows inhibition of NF-κB activation in RAW cells, extracted from patent WO2014033122A1. TRAF-STOP 6877002 prevents the progression of established atherosclerosis in mice, reduces leukocyte recruitment and reduces macrophage activation; reduces macrophage proliferation in atherosclerotic plaques.

Specifications

Sinónimos

F6176-1973 | (2E)-3-[(2, 5-DIMETHYLPHENYL)AMINO]-1-PHENYLPROP-2-EN-1-ONE | AKOS027470222 | 3-((2, 5-Dimethylphenyl)amino)-1-phenylprop-2-en-1-one | TRAF-STOP inhibitor 6877002 | AKOS040742773 | CD40-TRAF6 inhibitor | SCHEMBL15614836 | (E)-3-((2, 5-dimethylph

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

CD40-TRAF6 (cluster of differentiation 40-TNF receptor associated factor) signaling is recognized as an effective target in treating vascular disease. CD40-TRAF6 signaling inhibitor is a small molecule that binds to TRAF6, blocking interactions with CD40.

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.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192080
• Sonrisas canónicas: CC1=CC(=C(C=C1)C)NC=CC(=O)C2=CC=CC=C2
• IUPAC Name: (E)-3-(2,5-dimethylanilino)-1-phenylprop-2-en-1-one
• InChIKey: SARYOFMRLSHZFE-ZHACJKMWSA-N
• INCHI: 1S/C17H17NO/c1-13-8-9-14(2)16(12-13)18-11-10-17(19)15-6-4-3-5-7-15/h3-12,18H,1-2H3/b11-10+
• Isómeros SMILES: CC1=CC(=C(C=C1)C)N/C=C/C(=O)C2=CC=CC=C2
• Peso molecular: 251.32
• Reaxy-Rn: 26694862
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26694862&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: p-Xylenes Aryl ketones Aniline and substituted anilines Secondary alkylarylamines Vinylogous amides Enones Acryloyl compounds Enamines Allylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Aryl ketone - Aniline or substituted anilines - Xylene - P-xylene - Secondary aliphatic/aromatic amine - Enone - Alpha,beta-unsaturated ketone - Vinylogous amide - Acryloyl-group - Ketone - Secondary amine - Enamine - Allylamine - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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: Soluble in ethanol to 100 mM and in DMSO to 100mM
• Peso molecular: 251.320 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 251.131 Da
• Monoisotopic Mass: 251.131 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 317.000
• 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