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Substrate Report for: Isosorbide-2,5-diaspirinate

General
Type Isosorbide, Salicylic, Acetate, Benzoate, Pro-Drug, Drug
Chemical_Nomenclature [(3S,3aR,6R,6aR)-6-(2-acetyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-acetyloxybenzoate
Canonical SMILES CC(=O)OC1=CC=CC=C1C(=O)OC2COC3C2OCC3OC(=O)C4=CC=CC=C4OC(=O)C
InChI InChI=1S/C24H22O10/c1-13(25)31-17-9-5-3-7-15(17)23(27)33-19-11-29-22-20(12-30-21(19)22)34-24(28)16-8-4-6-10-18(16)32-14(2)26/h3-10,19-22H,11-12H2,1-2H3/t19-,20+,21-,22-/m1/s1
InChIKey HUDBTWVKIKXIGG-CIAFKFPVSA-N
Other name(s) ISDA ; CHEMBL458299 ; SCHEMBL12860815 ; DTXSID601177840
________________________________________________________________________________________________
MW|470.4
Formula|C24H22O10
CAS_number|208338-33-4
PubChem|9890875
UniChem|HUDBTWVKIKXIGG-CIAFKFPVSA-N
IUPHAR|
Wikipedia|

Target
Families | Isosorbide-2,5-diaspirinate ligand of proteins in family: BCHE
Protein | human-BCHE

References:
Search PubMed for references concerning: Isosorbide-2,5-diaspirinate
    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

            

    Title: Single oral dose study of two isosorbide-based aspirin prodrugs in the dog
    Gilmer JF, Murphy MA, Shannon JA, Breen CG, Ryder SA, Clancy JM
    Ref: J Pharm Pharmacol, 55:1351, 2003 : PubMed