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Chemical structure of S-Gboxin

GC34344

S-Gboxin

Also known as [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[3-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-3-ium-1-yl]acetate iodide

S-Gboxin, a functional analogue of Gboxin, inhibits growth of mouse and human glioblastoma (GBM) with an IC50 of 470 nM· Antitumour activity

ChemicalCAS2101317-21-7MW600.45FormulaC27H32F3IN2O2
CAS number
2101317-21-7
Molecular weight
600.45
Formula
C27H32F3IN2O2
Solubility
DMSO ： 93·33 mg/mL (155·43 mM)
InChIKey
DCAJNAWCJSUZDG-DZJKTSMVSA-M
Catalogue number
GC34344
Brand
GLPBIO
Computed properties PubChem CID 137628665 · TPSA 35.1 Ų · H-bond donors 0 · H-bond acceptors 6
TPSA
35.1 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35

SMILES C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC(=CC=C4)C(F)(F)F)C)C(C)C.[I-]

Computed descriptors from PubChem (CID 137628665), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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