6-Dimethyl-3-difluoro-2-heptanone

Analogue of acetylcholine

General

Type : Halo ketone, Transition state analogue, Analogue of substrate

Chemical_Nomenclature : 6-Dimethyl-3-difluoro-2-heptanone

Canonical SMILES : CC(=O)C(CCC(C)(C)C)(F)F

InChI : InChI=1S\/C9H16F2O\/c1-7(12)9(10,11)6-5-8(2,3)4\/h5-6H2,1-4H3

InChIKey : VSNJJLPUDBPXPY-UHFFFAOYSA-N

Other name(s) : AGN-PC-0A92PR, 2-Heptanone, 3,3-difluoro-6,6-dimethyl-


MW : 178.22

Formula : C9H16F2O

CAS_number : 96056-49-4

PubChem : 54408621

UniChem : VSNJJLPUDBPXPY-UHFFFAOYSA-N

Target

Families : 6-Dimethyl-3-difluoro-2-heptanone ligand of proteins in family
ACHE

References (1)

Title : Fluoro ketone inhibitors of hydrolytic enzymes - Gelb_1985_Biochemistry_24_1813
Author(s) : Gelb MH , Svaren JP , Abeles RH
Ref : Biochemistry , 24 :1813 , 1985
PubMedID: 2990541