1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)-

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1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)- Basic information
Product Name:1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)-
Synonyms:1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)-;SARS 3CLpro-IN-1
CAS:2409178-86-3
MF:C22H38N4O2
MW:390.57
EINECS:
Product Categories:
Mol File:2409178-86-3.mol
1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)- Structure
1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)- Chemical Properties
Boiling point 556.9±40.0 °C(Predicted)
density 1.056±0.06 g/cm3(Predicted)
pka13.80±0.10(Predicted)
Safety Information
MSDS Information
1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)- Usage And Synthesis
UsesSARS 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].
References[1] Shin-Ichiro Yoshizawa, et al. Evaluation of an octahydroisochromene scaffold used as a novel SARS 3CL protease inhibitor. Bioorg Med Chem. 2020 Feb 15;28(4):115273. DOI:10.1016/j.bmc.2019.115273
1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)- Preparation Products And Raw materials
Tag:1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)-(2409178-86-3) Related Product Information
1H-Imidazole-5-propanal, α-[[[(1S,3S,4aR,8aS)-1-[(butylmethylamino)methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino]-, (αS)- Brequinar Ritonavir SARS-CoV-2 3CLpro/3C-like protease protein SARS-COV-2 S protein RBD (194A.A, HEK293, HIS) SARS-COV-2 S protein RBD (HEK293, FC)