6M08-BWL
General
Type : Trifluoro,Pyrrolidine
Chemical_Nomenclature : (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-hydroxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylic acid
Canonical SMILES : CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)C=C(C3CCCN3C(=O)O)O
InChI : InChI=1S\/C28H34F3N3O4\/c1-3-32(4-2)16-17-33(26(36)18-25(35)24-6-5-15-34(24)27(37)38)19-20-7-9-21(10-8-20)22-11-13-23(14-12-22)28(29,30)31\/h7-14,18,24,35H,3-6,15-17,19H2,1-2H3,(H,37,38)\/b25-18-\/t24-\/m0\/s1
InChIKey : GTFYUFYLBSPPRI-BUFPPZMGSA-N
Other name(s) : (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid,(Z)-N-[2-(diethylamino)ethyl]-3-[(2S)-1-methanoylpyrrolidin-2-yl]-3-oxidanyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]prop-2-enamide,BWL,Compound 7
MW : 533.6
Formula : C28H34F3N3O4
CAS_number :
PubChem : 155289216
UniChem : GTFYUFYLBSPPRI-BUFPPZMGSA-N
IUPHAR :
Wikipedia :
Target
Families : 6M08-BWL ligand of proteins in family: PAF-Acetylhydrolase
Stucture : 6M08 Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor 6M08-BWO compound 7
Protein : human-PLA2G7
References (1)
| Title : Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach - Huang_2020_J.Med.Chem_63_7052 |
| Author(s) : Huang F , Hu H , Wang K , Peng C , Xu W , Zhang Y , Gao J , Liu Y , Zhou H , Huang R , Li M , Shen J , Xu Y |
| Ref : Journal of Medicinal Chemistry , 63 :7052 , 2020 |
| Abstract : Huang_2020_J.Med.Chem_63_7052 |
| ESTHER : Huang_2020_J.Med.Chem_63_7052 |
| PubMedSearch : Huang_2020_J.Med.Chem_63_7052 |
| PubMedID: 32459096 |
| Gene_locus related to this paper: human-PLA2G7 |