Isavuconazonium (sulfate)

Isavuconazonium is a prodrug form of the azole antifungal isavuconazole (ISA). Oral administration of isavuconazonium increases survival in rat models of azole-susceptible and -resistant A. fumigatus infection when administered at doses ranging from 0.25 to 512 mg/kg per day (ISA-equivalent = 0.12-245.8 mg/kg per day). Isavuconazonium reduces fungal burden and organism-mediated pulmonary injury and increases survival in a rabbit model of experimental invasive pulmonary aspergillosis when administered at ISA-equivalent doses ranging from 40 to 60 mg/kg.Formal Name: N-methyl-glycine, [2-[[[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4H-1,2,4-triazolium-4-yl]ethoxy]carbonyl]methylamino]-3-pyridinyl]methyl ester, monosulfate. CAS Number: 946075-13-4. Molecular Formula: C35H35F2N8O5S . HO4S. Formula Weight: 814.8. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: 20 mg/ml, DMSO:PBS (pH 7.2) (1:5): 0.16 mg/ml, Ethanol: 10 mg/ml. lambdamax: 273 nm. SMILES: O=C(CNC)OCC1=C(N(C)C(OC(C)[N+]2=CN(C[C@@](C3=CC(F)=CC=C3F)(O)[C@@H](C)C4=NC(C5=CC=C(C#N)C=C5)=CS4)N=C2)=O)N=CC=C1.O=S([O-])(O)=O. InChi Code: InChI=1S/C35H35F2N8O5S.H2O4S/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)16-39-3,1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3,(H2,1,2,3,4)/q+1,/p-1/t22-,23?,35+,/m0./s1. InChi Key: LWXUIUUOMSMZKJ-KLFWAVJMSA-M.