LK864

polar spirocyclic orally bioavailable urea epoxide-hydrolase inhibitor

General

Type : Azaspiro, Sulfur Compound, Sulfonyl, Urea derivative, Trifluoro

Chemical_Nomenclature : N-[9-(Isopropylsulfonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]-N'-[4-(trifluoro-methoxy)benzyl]urea

Canonical SMILES : O=C(NCC1=CC=C(C=C1)OC(F)(F)F)N[C@@H]2CCOC3(C2)CCN(CC3)[S](=O)(=O)C(C)C

InChI : InChI=1S\/C21H30F3N3O5S\/c1-15(2)33(29,30)27-10-8-20(9-11-27)13-17(7-12-31-20)26-19(28)25-14-16-3-5-18(6-4-16)32-21(22,23)24\/h3-6,15,17H,7-14H2,1-2H3,(H2,25,26,28)\/t17-\/m1\/s1

InChIKey : BZTKUYQNORQBRG-QGZVFWFLSA-N

Other name(s) : (+)-22


MW : 494.18

Formula : C21H31F3N3O5S

CAS_number :

PubChem :

UniChem : BZTKUYQNORQBRG-QGZVFWFLSA-N

Target

Families : LK864 ligand of proteins in family
Epoxide_hydrolase

Structure :
6FR2

Protein :
human-EPHX2

References (1)

Title : Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase - Lukin_2018_Bioorg.Chem_80_655
Author(s) : Lukin A , Kramer J , Hartmann M , Weizel L , Hernandez-Olmos V , Falahati K , Burghardt I , Kalinchenkova N , Bagnyukova D , Zhurilo N , Rautio J , Forsberg M , Ihalainen J , Auriola S , Leppanen J , Konstantinov I , Pogoryelov D , Proschak E , Dar'in D , Krasavin M
Ref : Bioorg Chem , 80 :655 , 2018
Abstract :
PubMedSearch : Lukin_2018_Bioorg.Chem_80_655
PubMedID: 30059891
Gene_locus related to this paper: human-EPHX2