1217629-70-3

1217629-70-3 structure

Name: Nelfinavir-d3
Chemical Name: Nelfinavir-d3
CAS Number: 1217629-70-3
Molecular Formula: C₃₂H₄₅N₃O₄S
Molecular Weight: 567.782
Catalog: Signaling Pathways Anti-infection HIV
Create Date: 2021-06-02 22:48:01
Modify Date: 2023-02-02 19:00:57
Nelfinavir-d3 (AG1341-d3) is the deuterium labeled Nelfinavir. Nelfinavir (AG-1341) is a potent and orally bioavailable HIV-1 protease inhibitor (Ki=2 nM) for HIV infection. Nelfinavir is a broad-spectrum, anticancer agent[1][2][3].

Name	Nelfinavir-d3
Synonyms	(3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide HO3OGH5D7I (3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-{(E)-[hydroxy(3-hydroxy-2-methylphenyl)methylene]amino}-4-(phenylsulfanyl)butyl]-N-(2-methyl-2-propanyl)decahydro-3-isoquinolinecarboximidic acid 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-, (3S,4aS,8aS)- Nelfinavir [3S-[2(2S,3S),3a,4ab,8ab]]-N-(1,1-Dimethylethyl)decahydro-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide [3S-(3R,4aR,8aR,2'S,3'S*)]-2-[2'-hydroxy-3'-phenylthiomethyl-4'-aza-5'-oxo-5'-(2''-methyl-3''-hydroxyphenyl)pentyl]decahydroisoquinoline-3-N-t-butylcarboxamide (3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]-N-(2-methyl-2-propanyl)decahydro-3-isoquinolinecarboxamide 3-Isoquinolinecarboximidic acid, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[[(1E)-hydroxy(3-hydroxy-2-methylphenyl)methylene]amino]-4-(phenylthio)butyl]-, (3S,4aS,8aS)- MFCD01938163

Description	Nelfinavir-d3 (AG1341-d3) is the deuterium labeled Nelfinavir. Nelfinavir (AG-1341) is a potent and orally bioavailable HIV-1 protease inhibitor (Ki=2 nM) for HIV infection. Nelfinavir is a broad-spectrum, anticancer agent[1][2][3].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection 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]. Mondal D, et al. Nelfinavir suppresses signaling and nitric oxide production by human aortic endothelial cells: protective effects of thiazolidinediones. Ochsner J. 2013 Spring;13(1):76-90. [3]. Gills JJ, et al. Nelfinavir, A lead HIV protease inhibitor, is a broad-spectrum, anticancer agent that inducesendoplasmic reticulum stress, autophagy, and apoptosis in vitro and in vivo. Clin Cancer Res. 2007 Sep 1;13(17):5183-94. [4]. Kaldor SW, et al. Nelfinavir mesylate (AG1343): a potent, orally bioavailable inhibitor of HIV-1 protease. J Med Chem. 1997 Nov 21;40(24):3979-85. [5]. Bono C, et al. The human immunodeficiency virus-1 protease inhibitor nelfinavir impairs proteasome activity and inhibits the proliferation of multiple myeloma cells in vitro and in vivo. Haematologica. 2012;97(7):1101‐1109. [6]. 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.

Density	1.2±0.1 g/cm3
Boiling Point	786.8±60.0 °C at 760 mmHg
Molecular Formula	C₃₂H₄₅N₃O₄S
Molecular Weight	567.782
Flash Point	429.7±32.9 °C
Exact Mass	567.313049
LogP	6.98
Vapour Pressure	0.0±2.9 mmHg at 25°C
Index of Refraction	1.619

1217629-70-3	15989-65-8
159989-65-8	159989-64-7
1041389-29-0	1041389-28-9
213135-56-9	18164-03-9
136765-31-6	1279033-22-5