TED-347 - ≥98% , CAS No.2378626-29-8

CAS: 2378626-29-8 Cat. No.: T414291 Molecular Weight: 313.7 PubChem CID: 137796964

GRADE & PURITY ≥98%

Synonyms

Ethanone,2-​chloro-​1-​[2-​[[3-​(trifluoromethyl)​phenyl]​amino]​phenyl]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

TED-347 TED-347 is a potent, irreversible, covalent and allosteric inhibitor of the TEAD⋅Yap protein-protein interaction . TED-347 inhibits TEAD4⋅Yap1 protein-protein interaction with an apparent EC50 of 5.9 μM.

Targets

TEAD4⋅Yap1 (Cell-free assay) 5.9 μM(EC50)

In vitro

TED-347 is found to inhibit the protein-protein interaction in a time-dependent manner. TED-347 is shown to functionally disrupt the TEAD·Yap1 interaction in cells and to reduce the viability of patient-derived glioblastoma cell lines.

Cell Research(from reference)

Cell lines：HEK-293 cells, GBM43 cells 

Concentrations：0.5 µM, 1.0 µM, 5.0 µM, 10 µM, 25 µM 

Incubation Time：48 h 

Specifications

Synonyms

Ethanone, 2-​chloro-​1-​[2-​[[3-​(trifluoromethyl)​phenyl]​amino]​phenyl]​-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

TED-347 is a potent, irreversible, covalent and allosteric inhibitor of the TEAD⋅Yap protein-protein interaction. TED-347 inhibits TEAD4⋅Yap1 protein-protein interaction with an apparent EC50 of 5.9 μM.

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.

Purity

≥98%

Product Properties

• ALogP: 4.594
• HBD Count: 1
• Rotatable Bond: 5

Names and Identifiers

• Pubchem Sid: 504773516
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773516
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)CCl)NC2=CC=CC(=C2)C(F)(F)F
• IUPAC Name: 2-chloro-1-[2-[3-(trifluoromethyl)anilino]phenyl]ethanone
• InChIKey: JPVDFGYNLUBCSD-UHFFFAOYSA-N
• INCHI: 1S/C15H11ClF3NO/c16-9-14(21)12-6-1-2-7-13(12)20-11-5-3-4-10(8-11)15(17,18)19/h1-8,20H,9H2
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)CCl)NC2=CC=CC(=C2)C(F)(F)F
• PubChem CID: 137796964
• Molecular Weight: 313.7

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Trifluoromethylbenzenes Benzoyl derivatives Aryl alkyl ketones Vinylogous amides Alpha-chloroketones Secondary amines Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Trifluoromethylbenzene - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Alpha-chloroketone - Vinylogous amide - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aromatic homomonocyclic compound
• Description: 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

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

Associated Targets(Human)

TEAD4 Tchem Transcriptional enhancer factor TEF-3 (1 Activities)

Discover Target: TEAD4

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 69 mg/mL (219.95 mM); Ethanol: 25 mg/mL (79.69 mM); Water: ˂1 mg/mL
• DMSO(mg / mL) Max Solubility: 69
• DMSO(mM) Max Solubility: 219.955371373924
• Water(mg / mL) Max Solubility: ˂1
• Molecular Weight: 313.700 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 313.048 Da
• Monoisotopic Mass: 313.048 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 361.000
• 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