Nelfinavir-d3

Modify Date: 2024-07-17 13:55:32

Nelfinavir-d3 Structure
Nelfinavir-d3 structure
Common Name Nelfinavir-d3
CAS Number 1217629-70-3 Molecular Weight 567.782
Density 1.2±0.1 g/cm3 Boiling Point 786.8±60.0 °C at 760 mmHg
Molecular Formula C32H45N3O4S Melting Point N/A
MSDS N/A Flash Point 429.7±32.9 °C

 Use of Nelfinavir-d3


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].

 Names

Name Nelfinavir-d3
Synonym More Synonyms

 Nelfinavir-d3 Biological Activity

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
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.

 Chemical & Physical Properties

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

 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