CAS 241479-67-4|Isavuconazole

Introduction：Basic information about CAS 241479-67-4|Isavuconazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Isavuconazole BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Isavuconazole
CAS Number	241479-67-4	Molecular Weight	437.46500
Density	1.38	Boiling Point	678ºC at 760 mmHg
Molecular Formula	C₂₂H₁₇F₂N₅OS	Melting Point	/
MSDS	/	Flash Point	363.8ºC

Names

Name	isavuconazole
Synonym	More Synonyms

Isavuconazole BiologicalActivity

Description	Isavuconazole is a moderate inhibitor of CYP3A4 and a water-soluble triazole with broad-spectrum antifungal activity.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Signaling Pathways >>Anti-infection >>FungalResearch Areas >>Infection
In Vitro	Isavuconazole shows good activity against all Candida spp., with active MIC50 of 0.004 mg/L. The MIC50s/MIC90s range from 0.002/0.004 mg/L for C. albicans to 0.25/0.5 mg/L for C. glabrata[1]. Isavuconazole has potent in vitro activity against most common Aspergillus species, Purpureocillium lilacinum, and Scedosporium apiospermum[2]. Isavuconazole shows potent activity against molds, yeasts, and dimorphic fungi. Rhizopus isolates have MIC values to isavuconazole as low as 0.12 µg/mL with others as high as 32 µg/mL[3]. In the study of pharmacokinetics and pharmacodynamics of isavuconazole against the GFP transformant, F/11628, NIH 4215, and F/16216, the modal MICs of isavuconazole are 1, 8, 1, 4 mg/L, respectively[4].
References	[1]. Seifert H, et al. In vitro activities of isavuconazole and other antifungal agents against Candida bloodstream isolates. Antimicrob Agents Chemother. 2007 May;51(5):1818-21. [2]. Steinmann J, et al. In Vitro Activity of Isavuconazole against Rasamsonia Species. Antimicrob Agents Chemother. 2016 Oct 21;60(11):6890-6891. [3]. Donnelley MA, et al. Isavuconazole in the treatment of invasive aspergillosis and mucormycosis infections. Infect Drug Resist. 2016 Jun 2;9:79-86. [4]. Box H, et al. Pharmacodynamics of Isavuconazole in a Dynamic In Vitro Model of Invasive Pulmonary Aspergillosis. Antimicrob Agents Chemother. 2015 Oct 26;60(1):278-87.

Chemical & Physical Properties

Density	1.38
Boiling Point	678ºC at 760 mmHg
Molecular Formula	C₂₂H₁₇F₂N₅OS
Molecular Weight	437.46500
Flash Point	363.8ºC
Exact Mass	437.11200
PSA	115.86000
LogP	4.24298
InChIKey	DDFOUSQFMYRUQK-RCDICMHDSA-N
SMILES	CC(c1nc(-c2ccc(C#N)cc2)cs1)C(O)(Cn1cncn1)c1cc(F)ccc1F

Synonyms

4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

BAL 4815

UNII-60UTO373KE

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

Isavuconazole

Bal4815

4-{2-[(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-1,3-thiazol-4-yl}benzonitrile

Benzonitrile, 4-[2-[(1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-

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