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Chemical structure of PDK4-IN-1

GC70753

PDK4-IN-1

Also known as 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione

PDK4-IN-1 is an anthraquinone derivative and a potent and orally active pyruvate dehydrogenase kinase 4 (PDK4) inhibitor with an IC50 value of 84 nM

ChemicalCAS2310262-10-1MW357.41FormulaC22H19N3O2
CAS number
2310262-10-1
Molecular weight
357.41
Formula
C22H19N3O2
Solubility
DMSO ： 100 mg/mL (279·79 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
RUCYSQLKCYBLDW-UHFFFAOYSA-N
Catalogue number
GC70753
Brand
GLPBIO
Computed properties PubChem CID 146026196 · XLogP 2.8 · TPSA 64 Ų · H-bond donors 1
XLogP
2.8
TPSA
64 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
27

SMILES C1CNCCC1N2C=C(C=N2)C3=C4C(=CC=C3)C(=O)C5=CC=CC=C5C4=O

Computed descriptors from PubChem (CID 146026196), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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