CAS 2101317-21-7

1H-Benzimidazolium, 1-methyl-3-[2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]-, iodide (1:1)

Description:

1H-Benzimidazolium, 1-methyl-3-[2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]-, iodide (1:1) is a complex organic compound characterized by its benzimidazolium core, which is a bicyclic structure containing nitrogen atoms that contribute to its basicity and potential as a ligand in coordination chemistry. The presence of a methyl group at the 1-position enhances its solubility and stability. The compound features a cyclohexyl moiety with specific stereochemistry, which may influence its biological activity and interaction with other molecules. The trifluoromethyl group attached to the phenyl ring increases lipophilicity and can enhance the compound's electronic properties. As an iodide salt, it is likely to exhibit ionic characteristics, which can affect its solubility in various solvents. This compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and potential biological activity. However, specific data regarding its reactivity, toxicity, and applications would require further investigation.

Formula: C₂₇H₃₂F₃N₂O₂·I

InChI: 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

InChI key: InChIKey=DCAJNAWCJSUZDG-DZJKTSMVSA-M

SMILES: C(C(O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1)=O)[N+]2=C(N(C)C=3C2=CC=CC3)C4=CC(C(F)(F)F)=CC=C4.[I-]

Synonyms:

• 1H-Benzimidazolium, 1-methyl-3-[2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]-, iodide (1:1)
• S-Gboxin

S-Gboxin

CAS: 2101317-21-7

Formula: C₂₇H₃₂F₃IN₂O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 600.4549

Ref: IN-DA01KK44

S-Gboxin

CAS: 2101317-21-7

S-Gboxin

Purity: ≥98%

Molecular weight: 600.46g/mol

Ref: 54-BUP09013

S-Gboxin iodide

CAS: 2101317-21-7

Ref: 7W-GW1881

S-Gboxin

CAS: 2101317-21-7

S-Gboxin is an active analogue of Gboxin with potent antitumour activity. S-Gboxin inhibits the growth of mouse and human glioblastoma (GBM, IC50: 470 nM).

Formula: C₂₇H₃₂F₃IN₂O₂

Purity: 98.65% - 99.32%

Color and Shape: Solid

Molecular weight: 600.46

Ref: TM-T5335