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SARS-CoV-IN-4

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Category SARS-CoV
CAS 2445585-37-3
Description SARS-CoV-IN-4 (compound 13) is a potent and specific inhibitor of SARS-CoV nsp14 N7-methyltransferase, with an IC50 of 0.6 μM (SARS-CoV nsp14). SARS-CoV-2 3C-like protease (3CLpro), an enzyme essential for viral replication, is an attractive target for intervention. SARS-CoV-2-IN-11 may lead to the emergence of effective SARS-CoV-2-specific antivirals.
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Product Information

Synonyms SARS-CoV-IN-4|CHEMBL4793508|BDBM50565050|HY-143467|CS-0438280
Molecular Weight 779.14
Molecular Formula C28H31ClN12O11S
Canonical SMILES C1=CC(=C(C=C1S(=O)(=O)N(CCOC2C(C(OC2N3C=NC4=C(N=CN=C43)N)CO)O)CC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)O)[N+](=O)[O-])Cl
Purity ≥98% (HPLC)
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 1390
Exact Mass 778.1644487
In Vitro SARS-CoV-IN-4 (compound 13) shows inhibitory activity on N7-MTases, with inhibition at 50 μM of 97.2 ± 2.7% (SARS-CoV nsp14), and 33.9 ± 3.3% (hRNMT), respectively. SARS-CoV-IN-4 stabilizes SARS-CoV nsp14 against thermal denaturation with a ΔTm +10.8 °C and exhibits notable binding affinity (apparent KD 1.3 ± 0.87 μM).
Target IC50: 0.6 ± 0.1 μM (SARS-CoV nsp14), 247.5 ± 14.9 μM (hRNMT)
XLogP3-AA -2.1

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