6M07-BWO
General
Type : Trifluoro,Pyrrolidine
Chemical_Nomenclature : (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[2-(2,2,2-trifluoroethoxy)-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=C(C=C(C=C2)C(F)(F)F)OCC(F)(F)F)C(=O)C=C(C3CCCN3C(=O)O)O
InChI : InChI=1S\/C30H35F6N3O5\/c1-3-37(4-2)14-15-38(27(41)17-25(40)24-6-5-13-39(24)28(42)43)18-20-7-9-21(10-8-20)23-12-11-22(30(34,35)36)16-26(23)44-19-29(31,32)33\/h7-12,16-17,24,40H,3-6,13-15,18-19H2,1-2H3,(H,42,43)\/b25-17+\/t24-\/m0\/s1
InChIKey : MYCHXHCCMGJMEM-IOCYEQIYSA-N
Other name(s) : (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid,(E)-N-[2-(diethylamino)ethyl]-3-[(2S)-1-methanoylpyrrolidin-2-yl]-3-oxidanyl-N-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]prop-2-enamide,BWO,compound 8
MW : 631.6
Formula : C30H35F6N3O5
CAS_number :
PubChem : 155289215
UniChem : MYCHXHCCMGJMEM-IOCYEQIYSA-N
IUPHAR :
Wikipedia :
Target
Families : 6M07-BWO ligand of proteins in family: PAF-Acetylhydrolase
Stucture : 6M07 Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor 6M07-BWO compound 8
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 |