| Identification | Back Directory | [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)- | [CAS]
2696272-70-3 | [Synonyms]
Keap1-Nrf2-IN-5
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)- | [Molecular Formula]
C23H30N4O6S | [MOL File]
2696272-70-3.mol | [Molecular Weight]
490.57 |
| Hazard Information | Back Directory | [Uses]
Keap1-Nrf2-IN-5 (compound 1) is a potent Keap1-Nrf2 PPI (Keap1-Nrf2 protein?protein 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 |
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