MedKoo Cat#: 462458 | Name: PDK4-IN-1 hydrochloride
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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. Inactivation of PDKs using inhibitors such as PDK4-IN-1 hydrochloride displays a higher degree of efficacy in tozasertib-resistant cells.

Chemical Structure

PDK4-IN-1 hydrochloride
PDK4-IN-1 hydrochloride
CAS#2310262-11-2 (HCl)

Theoretical Analysis

MedKoo Cat#: 462458

Name: PDK4-IN-1 hydrochloride

CAS#: 2310262-11-2 (HCl)

Chemical Formula: 22H20ClN3O2

Exact Mass: 393.1244

Molecular Weight: 393.87

Elemental Analysis: C, 67.09; H, 5.12; Cl, 9.00; N, 10.67; O, 8.12

Price and Availability

Size Price Availability Quantity
5mg USD 560.00 2 Weeks
10mg USD 870.00 2 Weeks
50mg USD 2,100.00 2 Weeks
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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
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 2: Jane, E. P., Premkumar, D. R., Rajasundaram, D., Thambireddy, S., Reslink, M. C., Agnihotri, S., & Pollack, I. F. (2022). Reversing tozasertib resistance in glioma through inhibition of pyruvate dehydrogenase kinases. Molecular oncology, 16(1), 219-249.