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Substrate Report for: Isosorbide-2-aspirinate

General
Type Isosorbide, Salicylic, Acetate, Benzoate, Pro-Drug, Drug
Chemical_Nomenclature [(3R,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-acetyloxybenzoate
Canonical SMILES CC(=O)OC1=CC=CC=C1C(=O)OC2COC3C2OCC3O
InChI InChI=1S/C15H16O7/c1-8(16)21-11-5-3-2-4-9(11)15(18)22-12-7-20-13-10(17)6-19-14(12)13/h2-5,10,12-14,17H,6-7H2,1H3/t10-,12+,13-,14-/m1/s1
InChIKey NSZSKBVMZCOOIC-YXCITZCRSA-N
Other name(s) CHEMBL458500 ; SCHEMBL8730000 ; DTXSID301195154 ; D-Glucitol, 1,4:3,6-dianhydro-, 2-[2-(acetyloxy)benzoate]
________________________________________________________________________________________________
MW|308.28
Formula|C15H16O7
CAS_number|206556-91-4
PubChem|25179133
UniChem|NSZSKBVMZCOOIC-YXCITZCRSA-N
IUPHAR|
Wikipedia|

Target
Families | Isosorbide-2-aspirinate ligand of proteins in family: BCHE
Protein | human-BCHE

References:
Search PubMed for references concerning: Isosorbide-2-aspirinate
    Title: Isosorbide-based aspirin prodrugs: integration of nitric oxide releasing groups
    Jones M, Inkielewicz I, Medina C, Santos-Martinez MJ, Radomski A, Radomski MW, Lally MN, Moriarty LM, Gaynor J and Gilmer JF <6 more author(s)>
    Ref: Journal of Medicinal Chemistry, 52:6588, 2009 : PubMed

            

    Title: Discovery of a true aspirin prodrug
    Moriarty LM, Lally MN, Carolan CG, Jones M, Clancy JM, Gilmer JF
    Ref: Journal of Medicinal Chemistry, 51:7991, 2008 : PubMed