Isavuconazonium free base

• CAT Number: I029527
• CAS Number: 742049-41-8
• Molecular Formula: C35H37F2N8O5S+
• Molecular Weight: 719.78
• Purity: 98%
• Synonyms: Isavuconazonium Free Base; BAL8557; BAL 8557; BAL-8557
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: Glycine, N-methyl-, (2-(((1-(1-((2R,3R)-3-(4-(4-cyanophenyl)-2-thiazolyl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-1H-1,2,4-triazolium-4-yl)ethoxy)carbonyl)methylamino)-3-pyridinyl)methyl ester
• InChI: InChI=1S/C35H36F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20,22-23,39,48H,16-17,19,21H2,1-4H3/p+1/t22-,23?,35+/m0/s1
• InChIKey: AWANULZDKHTBBZ-QXLBVTBOSA-O
• SMILES: O=C(OCC1=CC=CN=C1N(C(OC(N2C=N[NH+](C[C@](O)(C3=CC(F)=CC=C3F)[C@H](C4=NC(C5=CC=C(C#N)C=C5)=CS4)C)C2)C)=O)C)CNC

Isavuconazonium free base(CAT: I029527) is a prodrug of isavuconazole, an antifungal agent with broad-spectrum activity against invasive fungal infections caused by Aspergillus and Candida species. It is widely studied in pharmaceutical research for its role in combating life-threatening fungal infections, particularly in immunocompromised individuals. Upon metabolism, it releases isavuconazole, which inhibits fungal cytochrome P450-dependent lanosterol 14α-demethylase, disrupting ergosterol synthesis and compromising fungal cell membrane integrity. Isavuconazonium free base offers high purity and consistency, making it ideal for preclinical studies focused on antifungal drug development and pharmacokinetic profiling.