Products 1286730-05-9

CAS 1286730-05-9 is the registry number for 4-(2-((2R,3R)-Rel-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile, 97%. Offered by: AmBeed. Available pack sizes: 250mg.

4-(2-((2R,3R)-Rel-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile, 97%
AmBeed
  • size: 250mg
  • Variants: 1
from 7595.56
View product
Structural formula: {0} (CAS {1})

Isavuconazole is a 1,3-thiazole that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,5-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively. It is an antifungal drug used for the treatment of invasive aspergillosis and invasive mucormycosis. It has a role as an orphan drug, an ergosterol biosynthesis inhibitor and an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor. It is a nitrile, a tertiary alcohol, a member of 1,3-thiazoles, a difluorobenzene, a conazole antifungal drug and a triazole antifungal drug.

Source: ChEBI

Identity
Molecular formulaC22H17F2N5OS
Molecular weight437.5 g/mol
IUPAC name4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
InChIKeyDDFOUSQFMYRUQK-RCDICMHDSA-N
SMILESC[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O

Computed by PubChem (NCBI)

Synonyms: Isavuconazole, isavuconazol, isavuconazolum, Isavuconazole [INN], Isavuconazole (INN), Isavuconazole(BAL-4815; RO-0094815), Bal4815, Isavuconazole (Standard), ISAVUCONAZOLE [MI], ISAVUCONAZOLE [WHO-DD]
Related forms of this compound
4-[2-[(2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
4-[2-[(2R,3S)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
2,3,5,6-tetradeuterio-4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
Isomers (same molecular formula)
2,3,5,6-tetradeuterio-4-[2-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS
4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile C22H17F2N5OS