SML3511

S-217622

≥98% (HPLC)

• Synonym(s): (6E)-6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]dihydro-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-Triazine-2,4(1H,3H)-dione, Ensitrelvir, S 217622
• Empirical Formula (Hill Notation): C₂₂H₁₇ClF₃N₉O₂
• CAS Number: 2647530-73-0
• Molecular Weight: 531.88
• UNSPSC Code: 51111800
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: O=C1N/C(N(C(N1CC2=NN(C=N2)C)=O)CC3=CC(F)=C(F)C=C3F)=N\C4=CC5=CN(N=C5C=C4Cl)C
• InChI: 1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)
• InChI key: QMPBBNUOBOFBFS-UHFFFAOYSA-N

Description

Biochem/physiol Actions

Orally available potent and selective noncovalent and nonpeptidic inhibitor of SARS-CoV-2 3C-like protease (3CLpro, or Mpro)

S-217622 is an orally available potent and selective noncovalent and nonpeptidic inhibitor of SARS-CoV-2 3C-like protease (3CLpro, or Mpro) that exhibits antiviral activity in vitro against varies variants of SARS-CoV-2 and other coronaviruses. S-217622 potently inhibits intrapulmonary replication of SARS-CoV-2 in mice.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable