Itraconazole-d5

Modify Date: 2024-01-09 17:04:08

Itraconazole-d5 structure	Common Name	Itraconazole-d5
	CAS Number	1217510-38-7	Molecular Weight	710.66400
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₅H₃₃Cl₂D₅N₈O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Use of Itraconazole-d5

Itraconazole-d5 (R51211-d5) is the deuterium labeled Itraconazole. Itraconazole (R51211) is a triazole antifungal agent and a potent and orally active Hedgehog (Hh) signaling pathway antagonist with an IC50 of ~800 nM. Itraconazole potently inhibits lanosterol 14α-demethylase (cytochrome P450 enzyme), thereby inhibits the oxidative conversion of lanosterol to ergosterol. Itraconazole has anticancer and antiangiogenic effects[1][2][3].

Name	4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
Synonym	More Synonyms

Description	Itraconazole-d5 (R51211-d5) is the deuterium labeled Itraconazole. Itraconazole (R51211) is a triazole antifungal agent and a potent and orally active Hedgehog (Hh) signaling pathway antagonist with an IC50 of ~800 nM. Itraconazole potently inhibits lanosterol 14α-demethylase (cytochrome P450 enzyme), thereby inhibits the oxidative conversion of lanosterol to ergosterol. Itraconazole has anticancer and antiangiogenic effects[1][2][3].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Stem Cell/Wnt >> Hedgehog Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Signaling Pathways >> Anti-infection >> Fungal Signaling Pathways >> Autophagy >> Autophagy
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. Kim, J., et al., Itraconazole, a commonly used antifungal that inhibits Hedgehog pathway activity and cancer growth. Cancer Cell, 2010. 17(4): p. 388-99. [3]. Chong, C.R., et al., Inhibition of angiogenesis by the antifungal drug itraconazole. ACS Chem Biol, 2007. 2(4): p. 263-70. [4]. Pace JR, et al. Repurposing the Clinically Efficacious Antifungal Agent Itraconazole as an Anticancer Chemotherapeutic. J Med Chem. 2016 Apr 28;59(8):3635-49.

Molecular Formula	C₃₅H₃₃Cl₂D₅N₈O₄
Molecular Weight	710.66400
Exact Mass	709.27100
PSA	104.70000
LogP	5.70730

[2H5]-Itraconazole

Itraconazole-d5

Use of Itraconazole-d5

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Itraconazole-d5 Biological Activity

Chemical & Physical Properties

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