5LP1-71H
General
Type : Trifluoro,Pyrimidine,Sulfur Compound
Chemical_Nomenclature : N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-7aH-cyclopenta[d]pyrimidin-1-yl]-N-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
Canonical SMILES : CCN(CC)CCN(CC12CC(C1)(C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C5C=CC=C5C(=O)N=C4SCC6=CC=C(C=C6)F
InChI : InChI=1S\/C35H38F4N4O2S\/c1-3-41(4-2)16-17-42(23-33-20-34(21-33,22-33)25-10-12-26(13-11-25)35(37,38)39)30(44)18-43-29-7-5-6-28(29)31(45)40-32(43)46-19-24-8-14-27(36)15-9-24\/h5-15,29H,3-4,16-23H2,1-2H3
InChIKey : DSRJYUBKWVSYFE-UHFFFAOYSA-N
Other name(s) : 71H
MW : 654.76
Formula : C35H38F4N4O2S
CAS_number :
PubChem : 124080846
UniChem : DSRJYUBKWVSYFE-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 5LP1-71H ligand of proteins in family: PAF-Acetylhydrolase
Stucture : 5LP1 Crystal structure of human lipoprotein-associated phospholipase A2 in complex with a [1.1.1]bicyclopentane- containing inhibitor at 1.91 A resolution
Protein : human-PLA2G7
References (1)
| Title : Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA2 Inhibitor - Measom_2017_ACS.Med.Chem.Lett_8_43 |
| Author(s) : Measom ND , Down KD , Hirst DJ , Jamieson C , Manas ES , Patel VK , Somers DO |
| Ref : ACS Med Chem Lett , 8 :43 , 2017 |
| Abstract : Measom_2017_ACS.Med.Chem.Lett_8_43 |
| ESTHER : Measom_2017_ACS.Med.Chem.Lett_8_43 |
| PubMedSearch : Measom_2017_ACS.Med.Chem.Lett_8_43 |
| PubMedID: 28105273 |
| Gene_locus related to this paper: human-PLA2G7 |