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(R)-14i

human EPHX2 IC(50) 1.20 nM

General

Type : Urea derivative, Trifluoro

Chemical_Nomenclature : 1-[(13aR)-2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-yl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

Canonical SMILES : C1=C(C=CC(=C1)CNC(=O)NC2=CC3=C(C=C2)CC4N(C3)CCC5=CC(=C(C=C45)OC)OC)OC(F)(F)F || COC1=C(C=C2[C@H]3CC4=C(CN3CCC2=C1)C=C(C=C4)NC(=O)NCC5=CC=C(C=C5)OC(F)(F)F)OC

InChI : InChI=1S\/C28H28F3N3O4\/c1-36-25-13-19-9-10-34-16-20-11-21(6-5-18(20)12-24(34)23(19)14-26(25)37-2)33-27(35)32-15-17-3-7-22(8-4-17)38-28(29,30)31\/h3-8,11,13-14,24H,9-10,12,15-16H2,1-2H3,(H2,32,33,35) || InChI=1S\/C28H28F3N3O4\/c1-36-25-13-19-9-10-34-16-20-11-21(6-5-18(20)12-24(34)23(19)14-26(25)37-2)33-27(35)32-15-17-3-7-22(8-4-17)38-28(29,30)31\/h3-8,11,13-14,24H,9-10,12,15-16H2,1-2H3,(H2,32,33,35)\/t24-\/m1\/s1

InChIKey : QLVMEJODLSQJTN-UHFFFAOYSA-N || QLVMEJODLSQJTN-XMMPIXPASA-N

Other name(s) : (R)-7  ||  LXZ-42  ||  sEH inhibitor-19  ||  orb2945627  ||  HY-170492  ||  A1EBK

MW : 527.542

Formula : C28H28F3N3O4

CAS_number :

PubChem : 176515316,    172676998

UniChem : QLVMEJODLSQJTN-UHFFFAOYSA-N,    QLVMEJODLSQJTN-XMMPIXPASA-N

Target

Families : (R)-14i ligand of proteins in family
Epoxide_hydrolase

Protein :
human-EPHX2

References (1)

Title : Redesigning Berberines and Sanguinarines to Target Soluble Epoxide Hydrolase for Enhanced Anti-Inflammatory Efficacy - Liu_2024_J.Med.Chem__
Author(s) : Liu XZ , Du XY , Xie WS , Ding J , Zhu MZ , Feng ZQ , Wang H , Feng Y , Yu MJ , Liu SM , Liu WT , Zhu XH , Liang JH
Ref : Journal of Medicinal Chemistry , : , 2024
Abstract :
PubMedSearch : Liu_2024_J.Med.Chem__
PubMedID: 39658523