(1,2,4-Triazol-4-yl) Itraconazole

• CAT Number: R013187
• CAS Number: 854372-77-3
• Molecular Formula: C₃₅H₃₈Cl₂N₈O₄
• Molecular Weight: 705.63
• Purity: ≥95%
• Synonyms: rel-4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
• Storage: -20°C
• IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
• InChI: InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)42-14-16-43(17-15-42)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-41-22-38-39-23-41)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3
• InChIKey: VRJGLVXBWFZNCZ-UHFFFAOYSA-N
• SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NN=C6)C7=C(C=C(C=C7)Cl)Cl

(1,2,4-Triazol-4-yl) itraconazole (Cat No.:R013187) is a chemical derivative of itraconazole, which is a widely used antifungal medication. This derivative incorporates a 1,2,4-triazole ring into the structure of itraconazole, enhancing its antifungal properties. It is often utilized in research and drug development as a way to improve the efficacy of itraconazole against various fungal infections. The addition of the triazole moiety helps to increase the affinity of the compound for fungal cells and improve its overall antifungal activity, making it a valuable tool in the fight against fungal diseases.