WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H462458
CAS#: 2310262-11-2
Description: PDK4-IN-1 hydrochloride is an anthraquinone derivative and a potent and orally active pyruvate dehydrogenase kinase 4 (PDK4) inhibitor. It has antidiabetic, anticancer and anti-allergic activity.
Hodoodo Cat#: H462458
Name: PDK4-IN-1 hydrochloride
CAS#: 2310262-11-2
Chemical Formula: 22H20ClN3O2
Exact Mass: 393.12
Molecular Weight: 393.871
Elemental Analysis: C, 67.09; H, 5.12; Cl, 9.00; N, 10.67; O, 8.12
Synonym: PDK4-IN-1 hydrochloride; PDK4 IN 1 hydrochloride; PDK4 IN-1 hydrochloride; PDK4-IN 1 hydrochloride
IUPAC/Chemical Name: 1-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)anthracene-9,10-dione hydrochloride
InChi Key: ZIMLKZKPNALXKK-UHFFFAOYSA-N
InChi Code: InChI=1S/C22H19N3O2.ClH/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15;/h1-7,12-13,15,23H,8-11H2;1H
SMILES Code: [H]Cl.O=C1C2=C(C=CC=C2)C(C3=CC=CC(C4=CN(C5CCNCC5)N=C4)=C13)=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
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The following data is based on the product molecular weight 393.87 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Lee D, Pagire HS, Pagire SH, et al. Discovery of Novel Pyruvate Dehydrogenase Kinase 4 Inhibitors for Potential Oral Treatment of Metabolic Diseases [published correction appears in J Med Chem. 2019 Mar 14;62(5):2849]. J Med Chem. 2019;62(2):575-588. doi:10.1021/acs.jmedchem.8b01168
