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Inhibitor Report for: CMP-MeCyC

Name Class
CMP-MeCyCType (6)
Other_NameCMP-coumarin
methylphosphonic acid 3-cyano-7-hydroxy-4-mehtyl-2oxo-2H-coumarin-7-yl ester cyclohexyl ester
Chemical_Nomenclature7-[cyclohexyloxy(methyl)phosphoryl]oxy-4-methyl-2-oxochromene-3-carbonitrile
FormulaC18H20NO5P
MW361.33
PaperAmitai_2006_Febs.J_273_1906
Amitai_2007_Toxicology_233_187
Goldsmith_2012_Chem.Biol_19_456
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 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)
CID49795038
FamilyACHE
InChIKeyTVZHLDDYQNBRID-UHFFFAOYSA-N
CanonicalSMILESCC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(C)OC3CCCCC3)C#N
InChIInChI=1S/C18H20NO5P/c1-12-15-9-8-14(10-17(15)22-18(20)16(12)11-19)24-25(2,21)23-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3

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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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