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Chemical structure of STAT3-IN-1

GC37688

STAT3-IN-1

Also known as (E)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

STAT3-IN-1 (compound 7d) is an excellent, selective and orally active STAT3 inhibitor, with IC50 values of 1·82 μM and 2·14 μM in HT29 and MDA-MB 231 cells, respectively· STAT3-IN-1 (compound 7d) induces tumor apoptosis

ChemicalCAS2059952-75-7MW475.53FormulaC28H29NO6
CAS number
2059952-75-7
Molecular weight
475.53
Formula
C28H29NO6
Solubility
DMSO： 125 mg/mL (262·86 mM)
InChIKey
KOZAEBHIXYBHKA-FCXQYMQBSA-N
Catalogue number
GC37688
Brand
GLPBIO
Computed properties PubChem CID 134130166 · XLogP 5.3 · TPSA 75.3 Ų · H-bond donors 1
XLogP
5.3
TPSA
75.3 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

SMILES COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)OC

Computed descriptors from PubChem (CID 134130166), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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