| Identification | Back Directory | [Name]
Benzoic acid, 3,4,5-trihydroxy-, 1,1'-[1-[[[[3-(trifluoromethyl)phenoxy]carbonyl]amino]methyl]-1,2-ethanediyl] ester | [CAS]
1228357-04-7 | [Synonyms]
CDE-096
3-(((3-(Trifluoromethyl)phenoxy)carbonyl)amino)-propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
Benzoic acid, 3,4,5-trihydroxy-, 1,1'-[1-[[[[3-(trifluoromethyl)phenoxy]carbonyl]amino]methyl]-1,2-ethanediyl] ester | [Molecular Formula]
C25H20F3NO12 | [MOL File]
1228357-04-7.mol | [Molecular Weight]
583.43 |
| Chemical Properties | Back Directory | [Boiling point ]
887.6±65.0 °C(Predicted) | [density ]
1.630±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [form ]
Solid | [pka]
7.68±0.25(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Description]
CDE-096 is an inactivator of plasminogenactivator inhibitor-1 (PAI-1). | [Uses]
CDE-096 is a potent inhibitor of PAI-1. CDE-096 prevents PAI-1 from inactivating tPA and uPA with similar potency (IC50=30 and 25 nM, respectively) and is active against glycosylated PAI-1, as well as PAI-1 derived from several species (IC50=19, 22 and 18 nM for murine, rat, and Porcine PAI-1, respectively)[1]. | [References]
[1] Li SH, et al. Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1. Proc Natl Acad Sci U S A. 2013;110(51):E4941-E4949. DOI:10.1073/pnas.1216499110 |
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