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Chemical structure of 9-ING-41

GC39152

9-ING-41

Also known as 3-(5-fluoro-1-benzofuran-3-yl)-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione

9-ING-41 is a maleimide-based ATP-competitive and selective glycogen synthase kinase-3β (GSK-3β) inhibitor with an IC50 of 0·71 μM· 9-ING-41 significantly leads to cell cycle arrest, autophagy and apoptosis in cancer cells· 9-ING-41 has anticancer activity and has the potential for enhancing the antitumor effects of chemotherapeutic drugs

ChemicalCAS1034895-42-5MW404.35FormulaC22H13FN2O5
CAS number
1034895-42-5
Molecular weight
404.35
Formula
C22H13FN2O5
Solubility
DMSO： 250 mg/mL (618·28 mM)
InChIKey
FARXPFGGGGLENU-UHFFFAOYSA-N
Catalogue number
GC39152
Brand
GLPBIO
Computed properties PubChem CID 44582816 · XLogP 3 · TPSA 82.7 Ų · H-bond donors 1
XLogP
3
TPSA
82.7 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30

SMILES CN1C=C(C2=CC3=C(C=C21)OCO3)C4=C(C(=O)NC4=O)C5=COC6=C5C=C(C=C6)F

Computed descriptors from PubChem (CID 44582816), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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