SARS-CoV-IN-4

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.

Quotation Now

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