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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
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- Endogenous Metabolite
- Enterovirus (EV)
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- Human immunodeficiency Virus (HIV)
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- West Nile virus
- Antiviral intermediates
Nelfinavir Mesylate
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| Category | HIV Protease |
| CAS | 159989-65-8 |
| Description | Nelfinaviris a potent and orally bioavailable human immunodeficiency virus HIV-1 protease inhibitor. |
Product Information
| Synonyms | AG-1341; AG 1341; AG1341 |
| Molecular Weight | 663.89 |
| Molecular Formula | C33H49N3O7S2 |
| Canonical SMILES | CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O |
| InChI | InChI=1S/C32H45N3O4S.CH4O3S/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;1-5(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);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1 |
| InChIKey | NQHXCOAXSHGTIA-SKXNDZRYSA-N |
| Boiling Point | 786.8°C at 760 mmHg |
| Melting Point | 131-135°C |
| Flash Point | 429.7°C |
| Purity | >98% |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | White to yellow (Solid) |
| Storage | 4°C, stored under nitrogen * In solvent : -80°C 6 months -20°C 1 month (stored under nitrogen) |
| Complexity | 922 |
| Exact Mass | 663.30119326 |
| In Vitro | In vitro exposure (72 hours) of HAECs to NEL (0.25-2 μg/mL) decreased both basal (2.5-fold) and insulin-induced NO production (4- to 5-fold). NEL suppressed insulin-induced phosphorylation of both Akt and eNOS at serine residues 473 and 1177, respectively. NEL decreased tyrosine phosphorylation of IR-β, IRS-1, and PI3K. Coexposure to troglitazone (TRO; 250 nM) ameliorated the suppressive effects of NEL on insulin signaling and NO production. Coexposure to TRO also increased eNOS expression in NEL-treated HAECs. AG1343 is a potent enzyme inhibitor (Ki = 2 nM) and antiviral agent (HIV-1 ED50 = 14 nM). An X-ray cocrystal structure of the enzyme-AG1343 complex reveals how the novel thiophenyl ether and phenol-amide substituents of the inhibitor interact with the S1 and S2 subsites of HIV-1 protease, respectively . |
| In Vivo | In vivo studies indicate that AG1343 is well absorbed orally in a variety of species and possesses favorable pharmacokinetic properties in humans |
| PSA | 189.95000 |
| Target | IC50 Valur: 2 nM (Ki for HIV-1 protease) |
