Biomaterial Database

4-Chloro-7-(iodoacetyl)amino-3-methoxy-isocoumarin. 1996

J E Kerrigan, and J C Powers, and D VanDerveer

School of Chemistry and Biochemistry, Georgia Institute, Atlanta 30332-0400, USA.

The crystal structure of the iodo analog of 7-(bromoacetyl)amino-4-chloro-3-methoxyisocoumarin, an inhibitor of human neutrophil elastase (HNE), C12H9ClINO4, has been determined. The isocoumarin ring system is highly planar, with the carbonyl group of the amide function being coplanar with the isocoumarin ring.

UI	MeSH Term	Description	Entries
D008968	Molecular Conformation	The characteristic three-dimensional shape of a molecule.	Molecular Configuration,3D Molecular Structure,Configuration, Molecular,Molecular Structure, Three Dimensional,Three Dimensional Molecular Structure,3D Molecular Structures,Configurations, Molecular,Conformation, Molecular,Conformations, Molecular,Molecular Configurations,Molecular Conformations,Molecular Structure, 3D,Molecular Structures, 3D,Structure, 3D Molecular,Structures, 3D Molecular
D003374	Coumarins	Synthetic or naturally occurring substances related to coumarin, the delta-lactone of coumarinic acid.	1,2-Benzopyrone Derivatives,1,2-Benzopyrones,Coumarin Derivative,Coumarine,1,2-Benzo-Pyrones,Benzopyran-2-ones,Coumarin Derivatives,Coumarines,1,2 Benzo Pyrones,1,2 Benzopyrone Derivatives,1,2 Benzopyrones,Benzopyran 2 ones,Derivative, Coumarin,Derivatives, 1,2-Benzopyrone,Derivatives, Coumarin
D049934	Isocoumarins	Compounds that differ from COUMARINS in having the positions of the ring and ketone oxygens reversed so the keto oxygen is at the 1-position of the molecule.	Isocoumarin,1-Isochromen-1-ones,1H-2-Benzopyran-1-ones
D018360	Crystallography, X-Ray	The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	X-Ray Crystallography,Crystallography, X Ray,Crystallography, Xray,X Ray Crystallography,Xray Crystallography,Crystallographies, X Ray,X Ray Crystallographies