Coumarinyl-ethyl-p-trifluoroacetamidophenylmethylphosphonate

inhibitor of butyrylcholinesterase, inhibitor of catalytic antibodies || derivative of Coumaphos used to inhibit antiidiotypic antibodies

General

Type : Trifluoro, Organophosphate, Halo ketone, Coumarin, Chromen

Chemical_Nomenclature : N-[4-[[ethoxy-(4-methyl-2-oxochromen-7-yl)oxy-oxidophosphaniumyl]methyl]phenyl]-2,2,2-trifluoroacetamide

Canonical SMILES : CCO[P+](CC1=CC=C(C=C1)NC(=O)C(F)(F)F)([O-])OC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI : InChI=1S\/C21H19F3NO6P\/c1-3-29-32(28,12-14-4-6-15(7-5-14)25-20(27)21(22,23)24)31-16-8-9-17-13(2)10-19(26)30-18(17)11-16\/h4-11H,3,12H2,1-2H3,(H,25,27)

InChIKey : WQZWCKMMDZEVIY-UHFFFAOYSA-N

Other name(s) : Coumarinyl-ethyl-p-trifluoroacetamidophenylmethylphosphonate


MW : 469.35

Formula : C21H19F3NO6P

CAS_number :

PubChem : 101032582

UniChem : WQZWCKMMDZEVIY-UHFFFAOYSA-N

Target

Families : Coumarinyl-ethyl-p-trifluoroacetamidophenylmethylphosphonate ligand of proteins in family
BCHE

References (2)

Title : Enzyme mimicry by the antiidiotypic antibody approach - Kolesnikov_2000_Proc.Natl.Acad.Sci.U.S.A_97_13526
Author(s) : Kolesnikov AV , Kozyr AV , Alexandrova ES , Koralewski F , Demin AV , Titov MI , Avalle B , Tramontano A , Paul S , Thomas D , Gabibov AG , Friboulet A
Ref : Proc Natl Acad Sci U S A , 97 :13526 , 2000
PubMedID: 11095704

Title : Inhibition and labeling of enzymes and abzymes by phosphonate diesters - Tramontano_2000_Appl.Biochem.Biotechnol_83_233
Author(s) : Tramontano A , Ivanov B , Gololobov G , Paul S
Ref : Appl Biochem Biotechnol , 83 :233 , 2000
PubMedID: 10826963