2409178-86-3
2409178-86-3
Chemical Structure
SARS 3CLpro-IN-1
- CAS No.: 2409178-86-3
- Formula:C22H38N4O2
- Molecular Weight:390.56
IUPAC Name: (S)-2-((((1S,3S,4aR,8aS)-1-((butyl(methyl)amino)methyl)octahydro-1H-isochromen-3-yl)methyl)amino)-3-(1H-imidazol-4-yl)propanal
InChIKey: XTDYRRXAUUTJAL-ZQOQTTQJSA-N
SMILES: O=C[C@@H](NC[C@H]1O[C@H](CN(CCCC)C)[C@@]2([H])CCCC[C@]2([H])C1)CC3=CNC=N3
Biological Activity: 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[1].
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SARS 3CLpro-IN-1 | 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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References
Keywords
