1092540-50-5

1092540-50-5 structure

Name: Atazanavir-d6
Chemical Name: trideuteriomethyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-3,3-dimethyl-2-(trideuteriomethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CAS Number: 1092540-50-5
Molecular Formula: C₃₈H₄₆D₆N₆O₇
Molecular Weight: 710.89
Catalog: Signaling Pathways Anti-infection HIV
Create Date: 2016-06-08 14:05:03
Modify Date: 2024-01-02 00:51:18
Atazanavir-d6 is deuterium labeled Atazanavir. Atazanavir (BMS-232632), a highly selective HIV-1 protease inhibitor, is the first protease inhibitor approved for once-daily administration[1]. Atazanavir (BMS-232632) is a substrate and inhibitor of CYP3A4, and an inhibitor and inducer of P-glycoprotein (P-gp)[2]. Atazanavir is also a SARS-CoV 3CLpro inhibitor with an IC50 of 3.49 μM[3].

Name	trideuteriomethyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-3,3-dimethyl-2-(trideuteriomethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Synonyms	[2H6]-Atazanavir 2,5,6,10,13-Pentaazatetradecanedioic acid,3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-,1,14-di(methyl-d3) ester,(3S,8S,9S 12S)

Description	Atazanavir-d6 is deuterium labeled Atazanavir. Atazanavir (BMS-232632), a highly selective HIV-1 protease inhibitor, is the first protease inhibitor approved for once-daily administration[1]. Atazanavir (BMS-232632) is a substrate and inhibitor of CYP3A4, and an inhibitor and inducer of P-glycoprotein (P-gp)[2]. Atazanavir is also a SARS-CoV 3CLpro inhibitor with an IC50 of 3.49 μM[3].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Signaling Pathways >> Anti-infection >> SARS-CoV Signaling Pathways >> Membrane Transporter/Ion Channel >> P-glycoprotein Signaling Pathways >> Metabolic Enzyme/Protease >> HIV Protease
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]. Havlir DV, et al. Atazanavir: new option for treatment of HIV infection. Clin Infect Dis. 2004 Jun 1;38(11):1599-604. [3]. Wood R. Atazanavir: its role in HIV treatment. Expert Rev Anti Infect Ther. 2008 Dec;6(6):785-96. [4]. Qi Sun, et al. Bardoxolone and bardoxolone methyl, two Nrf2 activators in clinical trials, inhibit SARS-CoV-2 replication and its 3C-like protease. Signal Transduct Target Ther. 2021 May 29;6(1):212.

Melting Point	200-205°C
Molecular Formula	C₃₈H₄₆D₆N₆O₇
Molecular Weight	710.89
Exact Mass	710.42700
PSA	185.18000
LogP	6.30100
Storage condition	-20C

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