9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)-

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9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)- Basic information
Product Name:9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)-
Synonyms:9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)-;Keap1-Nrf2-IN-5
CAS:2696272-70-3
MF:C23H30N4O6S
MW:490.57
EINECS:
Product Categories:
Mol File:2696272-70-3.mol
9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)- Structure
9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)- Chemical Properties
Boiling point 899.3±65.0 °C(Predicted)
density 1.34±0.1 g/cm3(Predicted)
pka12.29±0.40(Predicted)
Safety Information
MSDS Information
9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)- Usage And Synthesis
UsesKeap1-Nrf2-IN-5 (compound 1) is a potent Keap1-Nrf2 PPI (Keap1-Nrf2 proteinprotein interaction) inhibitor with an IC50 of 4.1 μM, Kd of 3.7 μM[1].
References[1] Begnini F, et al. Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J Med Chem. 2022 Feb 24;65(4):3473-3517. DOI:10.1021/acs.jmedchem.1c01975
9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)- Preparation Products And Raw materials
Tag:9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)-(2696272-70-3) Related Product Information
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