Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: 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 | 1 structure: 6M07: Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor 6M07-BWO compound 8
Protein | human-PLA2G7

References:
Search PubMed for references concerning: 6M07-BWO
    Title: Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach
    Huang F, Hu H, Wang K, Peng C, Xu W, Zhang Y, Gao J, Liu Y, Zhou H and Xu Y <3 more author(s)>
    Ref: Journal of Medicinal Chemistry, 63:7052, 2020 : PubMed