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MedKoo CAT#: 408009

CAS#: 2101317-21-7 (iodide)

Description: S-Gboxin is an active analogue of Gboxin with potent antitumour activity. S-Gboxin inhibits growth of mouse and human glioblastoma (GBM) with an IC50 of 470 nM. Gboxin is an oxidative phosphorylation inhibitor that targets glioblastoma. Gboxin inhibits the growth of primary mouse and human glioblastoma cells but not that of mouse embryonic fibroblasts or neonatal astrocytes. Gboxin rapidly and irreversibly compromises oxygen consumption in glioblastoma cells.

Chemical Structure

CAS# 2101317-21-7 (iodide)

Theoretical Analysis

MedKoo Cat#: 408009
Name: S-Gboxin
CAS#: 2101317-21-7 (iodide)
Chemical Formula: C27H32F3IN2O2
Exact Mass:
Molecular Weight: 600.4647
Elemental Analysis: C, 54.01; H, 5.37; F, 9.49; I, 21.13; N, 4.67; O, 5.33

Price and Availability

Size Price Availability Quantity
50.0mg USD 350.0 2 Weeks
100.0mg USD 550.0 2 Weeks
200.0mg USD 950.0 2 Weeks
500.0mg USD 1950.0 2 Weeks
1.0g USD 3650.0 2 Weeks
2.0g USD 5950.0 2 Weeks
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Related CAS #: 2101317-20-6 (cation)   2101317-21-7 (iodide)    

Synonym: S-Gboxin

IUPAC/Chemical Name: 3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-1-methyl-2-(3-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-3-ium iodide


InChi Code: InChI=1S/C27H32F3N2O2.HI/c1-17(2)21-13-12-18(3)14-24(21)34-25(33)16-32-23-11-6-5-10-22(23)31(4)26(32)19-8-7-9-20(15-19)27(28,29)30;/h5-11,15,17-18,21,24H,12-14,16H2,1-4H3;1H/q+1;/p-1/t18-,21+,24-;/m1./s1

SMILES Code: FC(C1=CC(C2=[N+](CC(O[C@H]3[C@H](C(C)C)CC[C@@H](C)C3)=O)C4=CC=CC=C4N2C)=CC=C1)(F)F.[I-]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 600.4647 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Shi Y, Lim SK, Liang Q, Iyer SV, Wang HY, Wang Z, Xie X, Sun D, Chen YJ, Tabar
V, Gutin P, Williams N, De Brabander JK, Parada LF. Gboxin is an oxidative
phosphorylation inhibitor that targets glioblastoma. Nature. 2019
Mar;567(7748):341-346. doi: 10.1038/s41586-019-0993-x. Epub 2019 Mar 6. PubMed
PMID: 30842654.


50.0mg / USD 350.0

Additional Information

Gboxin relies on its positive charge to associate with mitochondrial oxidative phosphorylation complexes in a manner that is dependent on the proton gradient of the inner mitochondrial membrane, and it inhibits the activity of F0F1 ATP synthase. Gboxin-resistant cells require a functional mitochondrial permeability transition pore that regulates pH and thus impedes the accumulation of Gboxin in the mitochondrial matrix. Administration of a metabolically stable Gboxin analogue inhibits glioblastoma allografts and patient-derived xenografts. Gboxin toxicity extends to established human cancer cell lines of diverse organ origin, and shows that the increased proton gradient and pH in cancer cell mitochondria is a mode of action that can be targeted in the development of antitumour reagents.