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

CAS: 433249-94-6 Cat. No.: C275134 Formula: C₁₇H₁₇NO Molecular Weight: 251.32 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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.

Purity

≥98%

Names and Identifiers

Pubchem Sid

488192080

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192080

Canonical Smiles

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+

Isomeric SMILES

CC1=CC(=C(C=C1)C)N/C=C/C(=O)C2=CC=CC=C2

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in ethanol to 100 mM and in DMSO to 100mM
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 433249-94-6, the molecular formula is C17H17NO, and the molecular weight is 251.32 g/mol. InChIKey SARYOFMRLSHZFE-ZHACJKMWSA-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.