CAS 85559-48-4

Benzamide, N-[2-[[3-[[2-cyano-3-(iodo-125I)-1H-indol-4-yl]oxy]-2-hydroxypropyl]amino]-2-methylpropyl]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-

Description:

Benzamide, N-[2-[[3-[[2-cyano-3-(iodo-125I)-1H-indol-4-yl]oxy]-2-hydroxypropyl]amino]-2-methylpropyl]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]- (CAS 85559-48-4) is a complex organic compound characterized by its unique structural features, including a benzamide core and multiple functional groups. The presence of a cyano group and an iodine atom, specifically the radioactive isotope iodine-125, suggests potential applications in radiolabeling and imaging techniques, particularly in the field of medicinal chemistry and molecular imaging. The trifluoromethyl and diazirine moieties indicate reactivity that may be useful in photochemical applications or as a labeling agent in biological studies. The compound's solubility and stability are influenced by its functional groups, which can also affect its biological activity and interaction with target molecules. Overall, this compound exemplifies the complexity and versatility of synthetic organic chemistry, particularly in the design of molecules for specific applications in research and medicine.

Formula: C₂₅H₂₄F₃IN₆O₃

InChI: InChI=1S/C25H24F3IN6O3/c1-23(2,13-31-22(37)14-6-8-15(9-7-14)24(34-35-24)25(26,27)28)32-11-16(36)12-38-19-5-3-4-17-20(19)21(29)18(10-30)33-17/h3-9,16,32-33,36H,11-13H2,1-2H3,(H,31,37)/i29-2

InChI key: InChIKey=GJONGNKORQSJSA-FRTDBYGKSA-N

SMILES: C(F)(F)(F)C1(N=N1)C2=CC=C(C(NCC(NCC(COC3=C4C(NC(C#N)=C4[125I])=CC=C3)O)(C)C)=O)C=C2

Synonyms:

• 3H-Diazirine, benzamide deriv.
• Benzamide, N-[2-[[3-[[2-cyano-3-(iodo-125I)-1H-indol-4-yl]oxy]-2-hydroxypropyl]amino]-2-methylpropyl]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-