729-46-4

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729-46-4 Structure

Identification	Back Directory
[Name] 4,4'-(dithiodicarbonothioyl)dimorpholine
[CAS] 729-46-4
[Synonyms] JX 06 Bis(morpholinothiocarbonyl) disulfide Bis(morpholinocarbonothioyl) persulfide 4,4'-(dithiodicarbonothioyl)dimorpholine Morpholine, 4,4-(dithiodicarbonothioyl)bis-
[EINECS(EC#)] 211-980-6
[Molecular Formula] C10H16N2O2S4
[MOL File] 729-46-4.mol
[Molecular Weight] 324.51

Chemical Properties	Back Directory
[Melting point ] 136-137 °C
[Boiling point ] 466.3±55.0 °C(Predicted)
[density ] 1.4302 (rough estimate)
[refractive index ] 1.5650 (estimate)
[storage temp. ] Store at -20°C
[solubility ] Soluble in DMSO
[form ] A solid
[pka] 0.58±0.20(Predicted)
[color ] White to off-white
[EPA Substance Registry System] Morpholine, 4,4'-(dithiodicarbonothioyl)bis- (729-46-4)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07,GHS08,GHS09
[Signal word ] Warning
[Hazard statements ] H302+H332-H315-H319-H317-H373-H400-H410
[Precautionary statements ] P260-P264-P270-P271-P272-P273-P280-P301+P312-P330-P302+P352-P304+P340-P305+P351+P338-P314-P362+P364-P333+P313-P321-P337+P313-P363-P391-P501

Hazard Information	Back Directory
[Uses] JX 06 is a covalent inhibitor of Potent Covalent Pyruvate Dehydrogenase Kinase (PDK).
[Biological Activity] JX06 is a potentPDK1-selectivecovalent pyruvate dehydrogenase (PDH) kinase (PDHKPDK) inhibitor (PDK1/2/3 IC50 = 49/101/313 nM; PDK4 IC50 >10 μMIC50 >10 μM against >300 other kinases). JX06 inhibits cellular PDK substrate PDHA1 Ser293/232 phosphorylationresulting in reduced aerobic glycolysis and cancer proliferation in cultures (1-10 μM) and in mice in vivo (40-80 mg/kg via daily i.p. injection; A549 & HT-29 xenografts). JX06 is shown to target PDK1 Cys240 for covalent modification.
[storage] Store at -20°C

Spectrum Detail	Back Directory
[Spectrum Detail] 4,4'-(dithiodicarbonothioyl)dimorpholine(729-46-4)¹HNMR

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