2456294-92-9

2456294-92-9 structure
2456294-92-9 structure
  • Name: Keap1-Nrf2-IN-13
  • Chemical Name: Keap1-Nrf2-IN-13
  • CAS Number: 2456294-92-9
  • Molecular Formula: C28H32N2O10S2
  • Molecular Weight: 620.69
  • Catalog: Signaling Pathways NF-κB Keap1-Nrf2
  • Create Date: 2022-08-31 17:44:09
  • Modify Date: 2024-01-11 07:06:10
  • Keap1-Nrf2-IN-13 is a Keap1-Nrf2 protein–protein interaction (PPI) inhibitor with an IC50 value of 0.15 μM. Keap1-Nrf2-IN-13 has strong binding affinities to the Keap1 protein by forming hydrogen bond with the key polar residues (Asn414, Arg415, Arg483, Gln530). Keap1-Nrf2-IN-13 can be used in the research of oxidative stress-related and inflammatory diseases, including pulmonary fibrosis, chronic obstructive pulmonary disorder (COPD) and cancers[1].

Name Keap1-Nrf2-IN-13
Description Keap1-Nrf2-IN-13 is a Keap1-Nrf2 protein–protein interaction (PPI) inhibitor with an IC50 value of 0.15 μM. Keap1-Nrf2-IN-13 has strong binding affinities to the Keap1 protein by forming hydrogen bond with the key polar residues (Asn414, Arg415, Arg483, Gln530). Keap1-Nrf2-IN-13 can be used in the research of oxidative stress-related and inflammatory diseases, including pulmonary fibrosis, chronic obstructive pulmonary disorder (COPD) and cancers[1].
Related Catalog
Target

IC50: 0.15 μM (Keap1-Nrf2 PPI)[1]

In Vitro Keap1-Nrf2-IN-13 (compound 21a, 0.5-50 μM) has inhibitory effect against Keap1-Nrf2 protein–protein interaction (PPI) with an IC50 value of 0.15 μM (fluorescence polarization (FP) assay)[1]. Keap1-Nrf2-IN-13 (0.1 mM, 90 min) has metabolic stability in the presence of human liver microsomes[1]. Keap1-Nrf2-IN-13 forms hydrogen bond interactions with the key polar residues (Asn414, Arg415, Arg483, Gln530), resulting in strong binding affinities to the Keap1 protein (docking assay)[1].
References

[1]. [1] Dhulfiqar Ali Abed, et al. Discovery of disubstituted xylylene derivatives as small molecule direct inhibitors of Keap1-Nrf2 protein-protein interaction. Bioorg Med Chem. 2020 Mar 15;28(6):115343.

Molecular Formula C28H32N2O10S2
Molecular Weight 620.69