DJ-53
Orally active phenylquinoline-based sEH inhibitor mouse sEH IC50 4.24 +/- 0;29 nM
General
Type : Urea derivative, Quinoline, Trifluoro, Dimethoxyphenyl
Chemical_Nomenclature : 1-[3-(3,5-dimethoxyphenyl)quinolin-7-yl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
Canonical SMILES : C1=C(C=CC(=C1)CNC(NC2=CC=C3C(=C2)N=CC(=C3)C4=CC(=CC(=C4)OC)OC)=O)OC(F)(F)F || COC1=CC(=CC(=C1)C2=CN=C3C=C(C=CC3=C2)NC(=O)NCC4=CC=C(C=C4)OC(F)(F)F)OC
InChI : InChI=1S\/C26H22F3N3O4\/c1-34-22-10-18(11-23(13-22)35-2)19-9-17-5-6-20(12-24(17)30-15-19)32-25(33)31-14-16-3-7-21(8-4-16)36-26(27,28)29\/h3-13,15H,14H2,1-2H3,(H2,31,32,33)
InChIKey : ZOUQJQJVXDBXIY-UHFFFAOYSA-N
Other name(s) :
MW : 497.47
Formula : C26H22F3N3O4
CAS_number :
PubChem : 172227249
UniChem : ZOUQJQJVXDBXIY-UHFFFAOYSA-N
Target
Families : DJ-53 ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (3)
| Title : Discovery of Orally Active Phenylquinoline-Based Soluble Epoxide Hydrolase Inhibitors with Anti-Inflammatory and Analgesic Activity - Ding_2024_J.Med.Chem__ |
| Author(s) : Ding J , Zhu MZ , Liu SM , Liu RC , Xu S , Shehzadi K , Ma HL , Yu MJ , Zhu XH , Liang JH |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Ding_2024_J.Med.Chem__ |
| PubMedID: 39361006 |
| Title : Discovery of Orally Active Phenylquinoline-Based Soluble Epoxide Hydrolase Inhibitors with Anti-Inflammatory and Analgesic Activity - Ding_2024_J.Med.Chem__ |
| Author(s) : Ding J , Zhu MZ , Liu SM , Liu RC , Xu S , Shehzadi K , Ma HL , Yu MJ , Zhu XH , Liang JH |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Ding_2024_J.Med.Chem__ |
| PubMedID: 39361006 |
| Title : Discovery of Orally Active Phenylquinoline-Based Soluble Epoxide Hydrolase Inhibitors with Anti-Inflammatory and Analgesic Activity - Ding_2024_J.Med.Chem__ |
| Author(s) : Ding J , Zhu MZ , Liu SM , Liu RC , Xu S , Shehzadi K , Ma HL , Yu MJ , Zhu XH , Liang JH |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Ding_2024_J.Med.Chem__ |
| PubMedID: 39361006 |