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Chemical structure of TED-347

GC39540

TED-347

Also known as 2-chloro-1-[2-[3-(trifluoromethyl)anilino]phenyl]ethanone

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

ChemicalCAS2378626-29-8MW313.7FormulaC15H11ClF3NO
CAS number
2378626-29-8
Molecular weight
313.7
Formula
C15H11ClF3NO
Solubility
DMSO： 250 mg/mL (796·94 mM)
InChIKey
JPVDFGYNLUBCSD-UHFFFAOYSA-N
Catalogue number
GC39540
Brand
GLPBIO
Computed properties PubChem CID 137796964 · XLogP 5.2 · TPSA 29.1 Ų · H-bond donors 1
XLogP
5.2
TPSA
29.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

SMILES C1=CC=C(C(=C1)C(=O)CCl)NC2=CC=CC(=C2)C(F)(F)F

Computed descriptors from PubChem (CID 137796964), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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