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Merck
CN

SML3457

JX06

≥98% (HPLC)

Synonym(s):

4,4′-(Dithiodicarbonothioyl)bis[morpholine], 4-Morpholinethiocarbonyl disulfide, Bis(4-morpholinethiocarbonyl) disulfide, Bis(oxydi-2,1-ethanediyl)-thiuram disulfide, Dimorpholinethiuram disulfide, JX 06, JX-06, NSC 402538

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About This Item

Empirical Formula (Hill Notation):
C10H16N2O2S4
CAS Number:
729-46-4
Molecular Weight:
324.51
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD00072237

Key Documents

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SMILES string

S(SC(=S)N2CCOCC2)C(=S)N1CCOCC1

InChI

1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2

InChI key

KKVYOWPPMNSLCP-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

-10 to -25°C

Quality Level

100

Related Categories

Biochem/physiol Actions

JX06 is a potent, PDK1-selective, covalent pyruvate dehydrogenase (PDH) kinase (PDHK, PDK) inhibitor (PDK1/2/3 IC50 = 49/101/313 nM; PDK4 IC50 >10 µM, IC50 >10 µM against >300 other kinases). JX06 inhibits cellular PDK substrate PDHA1 Ser293/232 phosphorylation, resulting 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.
Potent, PDK1-selective, covalent pyruvate dehydrogenase kinase (PDHK, PDK) inhibitor with anti-cancer efficacy in vitro and in vivo.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000194411
0000194410
0000187479
0000194411
0000194410

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