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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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- Rabies virus (RABV)
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- SARS-CoV
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- West Nile virus
- Antiviral intermediates
XR8-69
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| Category | SARS-CoV |
| Description | XR8-69 is an inhibitor of SARS-CoV-2 PLpro. It shows low micromolar antiviral potency in SARS-CoV-2-infected human cells. |
Product Information
| Synonyms | N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide|BDBM496859|SARS-CoV-2 PLpro Inhibitor, 89|XR8-69|CS-0256218|Y61 |
| IUPAC Name | N-[(1R)-1-[3-[5-(acetamidomethyl)thiophen-2-yl]phenyl]ethyl]-5-(azetidin-3-ylamino)-2-methylbenzamide |
| Molecular Weight | 462.61 |
| Molecular Formula | C26H30N4O2S |
| Canonical SMILES | CC1=C(C=C(C=C1)NC2CNC2)C(=O)NC(C)C3=CC=CC(=C3)C4=CC=C(S4)CNC(=O)C |
| InChI | InChI=1S/C26H30N4O2S/c1-16-7-8-21(30-22-13-27-14-22)12-24(16)26(32)29-17(2)19-5-4-6-20(11-19)25-10-9-23(33-25)15-28-18(3)31/h4-12,17,22,27,30H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t17-/m1/s1 |
| InChIKey | XOTUFJPCITWJHW-QGZVFWFLSA-N |
| Purity | ≥98% (HPLC) |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Solid powder |
| Storage | Store at -20°C |
| Complexity | 673 |
| Exact Mass | 462.20894739 |
| Target | SARS-CoV |
| XLogP3-AA | 3.3 |
