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Inhibitor Report for: CMP-DDAO

Name Class
CMP-DDAOType (5)
Chemical_Nomenclaturemethylphosphonic acid cyclohexyl ester 6,8-dichloro-9,9-dimethyl-7-oxo-7,9-dihydro-acridin-2-yl
FormulaC22H24Cl2NO4P
MW468.31
PaperAmitai_2006_Febs.J_273_1906
Amitai_2007_Toxicology_233_187
CommentCyclosarin 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)
FamilyACHE
InChIKeyXLRPQVFSZIPPGC-UHFFFAOYSA-N
CanonicalSMILESCC3(C1=C(C=CC(=C1)O[P](=O)(C)OC2CCCCC2)N=C4C3=C(C(=O)C(=C4)Cl)Cl)C.CC
InChIInChI=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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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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