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

Isavuconazole (BAL4815; trade name Cresemba) is a triazole antifungal drug. Its prodrug, isavuconazonium sulfate (BAL8557), was granted approval by the U.S. Food and Drug Administration (FDA) on March 6, 2015. Isavuconazole has been approved for treatment of invasive aspergillosis and invasive mucormycosis in adults ages 18 years and older. Both infections are caused by mold and fungi common to the environment, and occur in individuals who are immunosuppressed or have other complicating conditions, such as diabetes or lung disease.

Reference

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