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SML3511

Sigma-Aldrich

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

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About This Item

Empirical Formula (Hill Notation):
C22H17ClF3N9O2
CAS Number:
2647530-73-0
Molecular Weight:
531.88
UNSPSC Code:
51111800
UNSPSC Code:
12352200
NACRES:
NA.77

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

Biochem/physiol Actions

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.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
Journal of medicinal chemistry, 65(9), 6499-6512 (2022)
S-217622, a 3CL Protease Inhibitor and Clinical Candidate for SARS-CoV-2
Tyndall JDA
Journal of Medicinal Chemistry, 65(9), 6496-6498 (2022)

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