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Chemical structure of SH-4-54

GC14658

SH-4-54

Also known as 4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]amino]benzoic acid

SH-4-54 is a specific STAT3 inhibitor with a KD of 300 nM· It is commonly used in the study of treatments for brain cancers such as glioblastoma

ChemicalCAS1456632-40-8MW610.59FormulaC29H27F5N2O5S
CAS number
1456632-40-8
Molecular weight
610.59
Formula
C29H27F5N2O5S
Solubility
≥ 20·25mg/mL in DMSO
InChIKey
VFPYGNNOSJWBHF-UHFFFAOYSA-N
Catalogue number
GC14658
Brand
GLPBIO
Computed properties PubChem CID 72188643 · XLogP 6.2 · TPSA 103 Ų · H-bond donors 1
XLogP
6.2
TPSA
103 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
42

SMILES CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F

Computed descriptors from PubChem (CID 72188643), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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