MedKoo Cat#: 127485 | Name: PDK4-IN-1
Featured

Description:

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

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.

Chemical Structure

PDK4-IN-1
PDK4-IN-1
CAS#2310262-10-1 (free base)

Theoretical Analysis

MedKoo Cat#: 127485

Name: PDK4-IN-1

CAS#: 2310262-10-1 (free base)

Chemical Formula: C22H19N3O2

Exact Mass: 357.1477

Molecular Weight: 357.41

Elemental Analysis: C, 73.93; H, 5.36; N, 11.76; O, 8.95

Price and Availability

Size Price Availability Quantity
5mg USD 650.00 2 Weeks
10mg USD 1,050.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Synonym
PDK4-IN-1; PDK4-IN 1; PDK4-IN1
IUPAC/Chemical Name
1-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)anthracene-9,10-dione
InChi Key
RUCYSQLKCYBLDW-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H19N3O2/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
SMILES Code
O=C1C2=C(C=CC=C2)C(C3=CC=CC(C4=CN(C5CCNCC5)N=C4)=C13)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 357.41 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