-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
- Others
- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Tobacco mosaic virus (TMV)
- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
PNU-103017
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| Category | HIV Protease |
| CAS | 166335-18-8 |
| Description | PNU-103017 is an inhibitor of HIV protease. |
Product Information
| Synonyms | 4-cyano-N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide; 4-Hydroxy-3-[3-(4-cyanomethylphenylsulfonamido)phenyl]cyclopropyl)methyl]-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-2-one; Benzenesulfonamide, 4-cyano-N-(3-(cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta(b)pyran-3-yl)methyl)phenyl)- |
| IUPAC Name | 4-cyano-N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide |
| Molecular Weight | 504.60 |
| Molecular Formula | C28H28N2O5S |
| Canonical SMILES | C1CCCC2=C(CC1)C(=C(C(=O)O2)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C#N)O |
| InChI | InChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2 |
| InChIKey | VCYQENLVFRTJIC-UHFFFAOYSA-N |
| Boiling Point | 721.3±70.0°C (Predicted) |
| Flash Point | 400.1°C |
| Purity | ≥95% |
| Density | 1.39±0.1 g/cm3 (Predicted) |
| Solubility | Soluble in DMSO |
| Appearance | Solid powder |
| Storage | Store at -20°C |
| Complexity | 1070 |
| Exact Mass | 504.17189317 |
| Index Of Refraction | 1.665 |
| In Vivo | PNU-103017 is a selective HIV aspartyl protease inhibitor under evaluation as a potential oral treatment of Acquired Immunodeficiency Diseases. PNU-103017 is a racemic mixture of two enantiomers, designated PNU-103264 (R-) and PNU-103265 (S-). The Cmax (P≤0.0349), Cmin (P≤0.0168), and Cav (P≤0.0118) are significantly higher for the (R)- than the (S)-enantiomer, showing enantioselective pharmacokinetics of PNU-103017 in the dog. |
| PSA | 128.78000 |
| Target | HIV Protease; HIV |
| Vapor Pressure | 7.22E-23mmHg at 25°C |
| XLogP3-AA | 5.1 |
Description of First Aid Measures
Eye contact
Remove any contact lenses, locate eye-wash station, and flush eyes immediately with large amounts of water. Separate eyelids with fingers to ensure adequate flushing. Promptly call a physician.
Skin contactRinse skin thoroughly with large amounts of water. Remove contaminated clothing and shoes and call a physician.
InhalationImmediately relocate self or casualty to fresh air. If breathing is difficult, give cardiopulmonary resuscitation (CPR). Avoid mouth-to-mouth resuscitation.
IngestionWash out mouth with water; Do NOT induce vomiting; call a physician.