Inhibitor Report for: CMP-DDAO
| CMP-DDAO | Type (5) |
|---|
| Chemical_Nomenclature | methylphosphonic acid cyclohexyl ester 6,8-dichloro-9,9-dimethyl-7-oxo-7,9-dihydro-acridin-2-yl |
| Formula | C22H24Cl2NO4P |
| MW | 468.31 |
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| Paper (2) |
| Comment | Cyclosarin 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 Somen 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 | XLRPQVFSZIPPGC-UHFFFAOYSA-N |
| CanonicalSMILES | CC3(C1=C(C=CC(=C1)O[P](=O)(C)OC2CCCCC2)N=C4C3=C(C(=O)C(=C4)Cl)Cl)C.CC |
| InChI | InChI=1S/C22H24Cl2NO4P.C2H6/c1-22(2)15-11-14(29-30(3,27)28-13-7-5-4-6-8-13)9-10-17(15)25-18-12-16(23)21(26)20(24)19(18)22;1-2/h9-13H,4-8H2,1-3H3;1-2H3 |
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