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Antiviral API
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SARS-3CLpro-IN-1
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| Category | SARS-CoV |
| CAS | 2409178-86-3 |
| Description | SARS 3CLpro-IN-1 (Compound 3b) is a SARS 3CL protease inhibitor with an IC50 value of 95 μM, as a specific stereo isomer of the octahydroisochromene scaffold, directs the P1 site imidazole. |
Product Information
| Synonyms | SARS 3CLpro-IN-1|med.21724, Compound 54|CHEMBL4649013|BDBM429383|HY-150691|CS-0541865 |
| Molecular Weight | 390.56 |
| Molecular Formula | C22H38N4O2 |
| Canonical SMILES | CCCCN(C)CC1C2CCCCC2CC(O1)CNC(CC3=CN=CN3)C=O |
| Purity | ≥98% (HPLC) |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Solid powder |
| Storage | Store at -20°C |
| Complexity | 464 |
| Exact Mass | 390.29947647 |
| In Vitro | SARS 3CLpro-IN-1 (Compound 3b) has high active (IC50=95 μM) and had a (1S, 3S)-configuration in the ring system |
| Target | IC50: 95 μM (SARS 3CL protease) |
| XLogP3-AA | 3.2 |
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.