For research use only. Not for therapeutic Use.
SARS-CoV-2-IN-41 (compound 2) is a potent SARS-CoV-2 3CLpro inhibitor with an IC50 value of 0.022 µM. SARS-CoV-2-IN-41 shows antiviral effect[1].
SARS-CoV-2-IN-41 (50, 200 mg/kg; I.p.) antiviral effect in SARS-CoV-2 infected mice[1].
| Catalog Number | I040897 |
| CAS Number | 2920904-06-7 |
| Synonyms | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
| Molecular Formula | C22H30F3N5O4S2 |
| Purity | ≥95% |
| InChI | InChI=1S/C22H30F3N5O4S2/c1-20(2,3)15(29-19(34)22(23,24)25)18(33)30-11-21(35-6-7-36-21)9-14(30)17(32)28-13(10-26)8-12-4-5-27-16(12)31/h12-15H,4-9,11H2,1-3H3,(H,27,31)(H,28,32)(H,29,34)/t12-,13-,14-,15+/m0/s1 |
| InChIKey | LQBRGTAIBBFUJJ-ZQDZILKHSA-N |
| SMILES | CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(CC3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(F)F |
| Reference | [1]. XiangRui et al. Cyano compound, and preparation method therefor and use thereof. WO2023051657A1. |
