ChemicalBook--->CAS DataBase List--->2378626-29-8

2378626-29-8

2378626-29-8 Structure

2378626-29-8 Structure
IdentificationBack Directory
[Name]

TED-347
[CAS]

2378626-29-8
[Synonyms]

TED-347
Ethanone, 2-chloro-1-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]-
[Molecular Formula]

C15H11ClF3NO
[MDL Number]

MFCD32689460
[MOL File]

2378626-29-8.mol
[Molecular Weight]

313.7
Chemical PropertiesBack Directory
[Boiling point ]

378.0±42.0 °C(Predicted)
[density ]

1.352±0.06 g/cm3(Predicted)
[solubility ]

DMSO: 2 mg/mL, clear
[form ]

Solid
[pka]

-2.67±0.50(Predicted)
[color ]

Light yellow to green yellow
[InChI]

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
[InChIKey]

JPVDFGYNLUBCSD-UHFFFAOYSA-N
[SMILES]

C(=O)(C1=CC=CC=C1NC1=CC=CC(C(F)(F)F)=C1)CCl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362
Hazard InformationBack Directory
[Uses]

TED-347 is a potent, irreversible, covalent and allosteric inhibitor at YAP-TEAD protein-protein interaction with an EC50 of 5.9 μM for TEAD4?Yap1 protein-protein interaction. TED-347 specifically and covalently bonds with Cys-367 within the central pocket of TEAD4 with a Ki of 10.3 μM. TED-347 blocks TEAD transcriptional activity and has antitumor activity[1].
[IC 50]

YAP/TAZ-TEAD
[References]

[1] Khuchtumur Bum-Erdene, et al. Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD?Yap Protein-Protein Interaction. Cell Chem Biol. 2019 Mar 21;26(3):378-389.e13. DOI:10.1016/j.chembiol.2018.11.010
Spectrum DetailBack Directory
[Spectrum Detail]

TED-347(2378626-29-8)1HNMR
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