sEH-inhibitor-19

Derivative of Canadine Tetrahydroberberine

General

Type : Natural, Alkaloid, Isoquinoline, Trifluoro, Urea derivative, Derivative of berberine

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 : 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)\/t24-\/m1\/s1

InChIKey : QLVMEJODLSQJTN-XMMPIXPASA-N

Other name(s) : sEH inhibitor-19  ||  orb2945627  ||  HY-170492  ||  A1EBK


MW : 527.5

Formula : C28H28F3N3O4

CAS_number :

PubChem : 172676998

UniChem : QLVMEJODLSQJTN-XMMPIXPASA-N

Target

Families : sEH-inhibitor-19 ligand of proteins in family
Epoxide_hydrolase

Structure :
9JFM

Protein :
human-EPHX2

References

No reference