TPPU-methyl
General
Type : Trifluoro,Piperidine,Urea derivative
Chemical_Nomenclature : 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
Canonical SMILES : CC(C)C(=O)N1CCC(CC1)NC(=O)NC2=CC=C(C=C2)C(F)(F)F
InChI : InChI=1S\/C17H22F3N3O2\/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20\/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
InChIKey : KKMHGEIPUCNGMV-UHFFFAOYSA-N
Other name(s) : CHEMBL3327064,4ocz,SCHEMBL2717167,2RU,BDBM50100518,AKOS030199251
MW : 357.37
Formula : C17H22F3N3O2
CAS_number :
PubChem : 24898133
UniChem : KKMHGEIPUCNGMV-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : TPPU-methyl ligand of proteins in family: Epoxide_hydrolase
Stucture : 4OCZ Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea 1
Protein : human-EPHX2
References (1)
| Title : Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy - Lee_2014_J.Med.Chem_57_7016 |
| Author(s) : Lee KS , Liu JY , Wagner KM , Pakhomova S , Dong H , Morisseau C , Fu SH , Yang J , Wang P , Ulu A , Mate CA , Nguyen LV , Hwang SH , Edin ML , Mara AA , Wulff H , Newcomer ME , Zeldin DC , Hammock BD |
| Ref : Journal of Medicinal Chemistry , 57 :7016 , 2014 |
| Abstract : Lee_2014_J.Med.Chem_57_7016 |
| ESTHER : Lee_2014_J.Med.Chem_57_7016 |
| PubMedSearch : Lee_2014_J.Med.Chem_57_7016 |
| PubMedID: 25079952 |
| Gene_locus related to this paper: human-EPHX2 |