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Antiviral API
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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. |
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 | 786.8ºC at 760 mmHg |
| Flash Point | 429.7ºC |
| 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 |
