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SARS-3CLpro-IN-1

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Category SARS-CoV
CAS 2409178-86-3
Description SARS 3CLpro-IN-1 (Compound 3b) is a SARS 3CL protease inhibitor with an IC50 value of 95 μM, as a specific stereo isomer of the octahydroisochromene scaffold, directs the P1 site imidazole.
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Product Information

Synonyms SARS 3CLpro-IN-1|med.21724, Compound 54|CHEMBL4649013|BDBM429383|HY-150691|CS-0541865
Molecular Weight 390.56
Molecular Formula C22H38N4O2
Canonical SMILES CCCCN(C)CC1C2CCCCC2CC(O1)CNC(CC3=CN=CN3)C=O
Purity ≥98% (HPLC)
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 464
Exact Mass 390.29947647
In Vitro SARS 3CLpro-IN-1 (Compound 3b) has high active (IC50=95 μM) and had a (1S, 3S)-configuration in the ring system
Target IC50: 95 μM (SARS 3CL protease)
XLogP3-AA 3.2

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