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Nelfinavir

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Category HIV Protease
CAS 159989-64-7
Description An HIV-1 protease inhibitor. It inhibits the HIV viral proteinase enzyme which prevents cleavage of the gag-pol polyprotein, resulting in noninfectious, immature viral particles.
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Product Information

Synonyms Viracept; AG 1341; AG-1341; AG1341
IUPAC Name (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Molecular Weight 567.78
Molecular Formula C32H45N3O4S
Canonical SMILES CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O
InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
InChIKey QAGYKUNXZHXKMR-HKWSIXNMSA-N
Boiling Point 786.8°C at 760 mmHg
Flash Point 429.7°C
Purity ≥98%
Density 1.22 g/cm³
Solubility In Vitro:
DMSO: ≥ 25 mg/mL (44.03 mM)
Appearance White to off-white crystalline powder
Application HIV Protease Inhibitors
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 830
Exact Mass 567.31307810
Index Of Refraction 1.618
In Vitro Nelfinavir (AG1341) (1-10 μM; 48 hours) inhibits the proliferation of multiple myeloma cells.
Nelfinavir inhibits 26S chymotrypsin-like proteasome activity, impairs proliferation and triggers Apoptosis of the myeloma cell lines and fresh plasma cells.
Nelfinavir (1-10 μM; 17 hours) induces Apoptosis of multiple myeloma cell lines.
Nelfinavir (5 μM; 0-24 hours) decreases the phosphorylation of AKT.
Nelfinavir activates the cleavage of Caspase-3, decreases the phosphorylation of AKT, STAT-3, ERK1/2, and activates the pro-apoptotic pathway of the unfolded protein response system.
Nelfinavir is also a SARS-CoV 3CLpro inhibitor with an IC50 of 35.93 μM.
In Vivo Nelfinavir (AG1341) (75 mg/kg; i.p.; 5 days a week for 21 days) decreases multiple myeloma cell growth in NOD/SCID mice.
PSA 189.95
Target HIV Protease; HIV
Vapor Pressure 4.38E-26mmHg at 25°C
XLogP3-AA 5.7

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