Inhibitor Report for: IMP-DDAO
| IMP-DDAO | Type (6) |
|---|
| Chemical_Nomenclature | methylphosphonic acid isopropyl ester 6,8-dichloro-9,9-dimethyl-7-oxo-7,9-dihydro-acridin-2-yl |
| Formula | C20H22Cl2NO4P |
| MW | 442.27 |
|  |
| Paper | Amitai_2006_Febs.J_273_1906 |
| | Amitai_2007_Toxicology_233_187 |
| Comment | Sarin analogue. Fluorogenic organophosphate diesters that produce fluorescence emission upon hydrolysis. The first ester is ethyl (E), isopropyl (I), cyclohexyl (C) or pinacoyl (P) analogous to the structure of VX, Sarin, Cyclosarin, and Soman respectively. The fluorescent ester is 3-cyano-4-methyl-7-hydroxy coumarin (MeCyC) or 1,3-dichloro-7-hydroxy-9,9-dimethyl-9H-acridin-2-one (DDAO) |
| Family | ACHE |
| InChIKey | OLUSHKKVVWQKFX-UHFFFAOYSA-N |
| CanonicalSMILES | CC2(C1=C(C=CC(=C1)O[P](=O)(C)OC(C)(C)C)N=C3C2=C(C(=O)C(=C3)Cl)Cl)C |
| InChI | InChI=1S/C20H22Cl2NO4P/c1-19(2,3)27-28(6,25)26-11-7-8-14-12(9-11)20(4,5)16-15(23-14)10-13(21)18(24)17(16)22/h7-10H,1-6H3 |
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