CAS 93952-19-3|p,p'-DDE-d8

Introduction:Basic information about CAS 93952-19-3|p,p'-DDE-d8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namep,p'-DDE-d8
CAS Number93952-19-3Molecular Weight326.07500
Density/Boiling Point/
Molecular FormulaC14Cl4D8Melting Point/
MSDS/Flash Point/

Names

Name4,4'-dde d8

p,p'-DDE-d8 BiologicalActivity

Descriptionp,p'-DDE-d8 is the deuterium labeled p,p'-DDE[1]. p,p'-DDE (4,4'-DDE), a major metabolite of persistent dichlorodiphenyltrichloroethane (DDT), is a potent androgen receptor antagonist, with an IC50 of 5 μM and a Ki of 3.5 μM[2].
Related CatalogResearch Areas >>EndocrinologySignaling Pathways >>Others >>Androgen Receptor
In VitroStable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Kelce WR, et al. Persistent DDT metabolite p,p'-DDE is a potent androgen receptor antagonist. Nature. 1995;375(6532):581-585.  

Chemical & Physical Properties

Molecular FormulaC14Cl4D8
Molecular Weight326.07500
Exact Mass323.98800
LogP6.18790
InChIKeyUCNVFOCBFJOQAL-PGRXLJNUSA-N
SMILESClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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