JX-06

• CAT Number: I007467
• CAS Number: 729-46-4
• Molecular Formula: C10H16N2O2S4
• Molecular Weight: 324.49
• Purity: ≥95%
• Target: PDK inhibitor
• Solubility: Soluble in DMSO
• Storage: 0 - 4°C for short term , or -20°C for long term.
• IC50: 28nM
• IUPAC Name: morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate
• InChI: 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
• InChIKey: KKVYOWPPMNSLCP-UHFFFAOYSA-N
• SMILES: C1COCCN1C(=S)SSC(=S)N2CCOCC2

JX-06 is a potent and selective pyruvate dehydrogenase kinase (PDK) 1/2/3 inhibitor (IC50 values are 28, 49 and 313 nM for PDK2, PDK1 and PDK3, respectively). JX06 Selectively Inhibits Pyruvate Dehydrogenase Kinase PDK1 by a Covalent Cysteine Modification. JX06, as a selective covalent inhibitor of PDK1 in cells, forms a disulfide bond with the thiol group of a conserved cysteine residue (C240) based on recognition of a hydrophobic pocket adjacent to the ATP pocket of the PDK1 enzyme.

Reference

1:Sun W, Xie Z, Liu Y, Zhao D, Wu Z, Zhang D, Lv H, Tang S, Jin N, Jiang H, Tan M, Ding J, Luo C, Li J, Huang M, Geng M. JX06 Selectively Inhibits Pyruvate Dehydrogenase Kinase PDK1 by a Covalent Cysteine Modification. Cancer Res. 2015 Nov 15;75(22):4923-36. doi: 10.1158/0008-5472.CAN-15-1023. PubMed PMID: 26483203.