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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
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- Endogenous Metabolite
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- Antiviral intermediates
Lopinavir Metabolite M-1
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| Category | HIV Protease |
| CAS | 192725-39-6 |
| Description | Lopinavir Metabolite M-1 is a major metabolite of Lopinavir. |
Product Information
| Synonyms | (αS)-N-[(1S,3S,4S)-4-[[(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2,4-dioxo-1(2H)-pyrimidineacetami- de; 4-Oxo Lopinavir |
| IUPAC Name | (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylbutanamide |
| Molecular Weight | 642.78 |
| Molecular Formula | C37H46N4O6 |
| Canonical SMILES | CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCC(=O)NC4=O)O |
| InChI | InChI=1S/C37H46N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-31,34,42H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,43,46)/t29-,30-,31-,34-/m0/s1 |
| InChIKey | PSUMJBRVYHIASB-MEROQGEASA-N |
| Melting Point | 106-108°C |
| Purity | > 95% |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Off-White Solid |
| Storage | Store at -20°C |
| Complexity | 1020 |
| Exact Mass | 642.34173520 |
| Index Of Refraction | 1.582 |
| PSA | 137.07000 |
| Target | IC50: 0.7 pM (HIV Protease) |
| XLogP3-AA | 5.3 |
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.