PANKi | CAS#902614-04-4 | Pantothenate kinase reversible inhibitor

PANKi
featured

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

MedKoo CAT#: 463165

CAS#: 902614-04-4

Description: Pantothenate Kinase Inhibitor (PANKi) is a reversible inhibitor of pantothenate kinase, the rate-limiting enzyme in the synthesis of coenzyme A. It binds to the ATP-PanK3 complex with an apparent binding constant of 300 nM and exhibits mixed-type inhibition with respect to ATP and pantothenate. PANKi inhibits CoA biosynthesis in C3A cells with no effect on cell viability when used at concentrations up to 8 µM. PANKi synergizes with BSO to induce ferroptosis in PANC-1 cells and sensitizes the cells to imidazole ketone erastin-induced ferroptosis.

Chemical Structure

PANKi

CAS# 902614-04-4

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 463165
Name: PANKi
CAS#: 902614-04-4
Chemical Formula: C21H21N5OS
Exact Mass: 391.15
Molecular Weight: 391.493
Elemental Analysis: C, 64.43; H, 5.41; N, 17.89; O, 4.09; S, 8.19

Price and Availability

Size	Price	Availability
5mg	USD 300	2 Weeks
10mg	USD 550	2 Weeks
25mg	USD 950	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: PANKi; PanK Inhibitor; Pantothenate Kinase Inhibitor;

IUPAC/Chemical Name: 3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N-(3-(methylthio)phenyl)propanamide

InChi Key: UNCZUEUPSJKHGB-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H21N5OS/c1-13-17(9-10-19(27)24-15-6-4-7-16(12-15)28-3)14(2)26-21(23-13)18-8-5-11-22-20(18)25-26/h4-8,11-12H,9-10H2,1-3H3,(H,24,27)

SMILES Code: CC1=C(C(C)=NC2=C3C=CC=NC3=NN21)CCC(NC4=CC=CC(SC)=C4)=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:

Product Data:

Product Data

Instruction:

View handling instruction

Biological target:	Pantothenate Kinase Inhibitor (PANKi) is a reversible inhibitor of pantothenate kinase.
In vitro activity:	Pantothenate kinase (PanK) is a regulatory enzyme that controls coenzyme A (CoA) biosynthesis. The association of PanK with neurodegeneration and diabetes suggests that chemical modifiers of PanK activity may be useful therapeutics. This study performed a high throughput screen of >520000 compounds from the St. Jude compound library and identified new potent PanK inhibitors and activators with chemically tractable scaffolds. The HTS identified PanK inhibitors exemplified by the detailed characterization of a tricyclic compound (7) and a preliminary SAR. Biophysical studies reveal that the PanK inhibitor acts by binding to the ATP-enzyme complex. Reference: J Med Chem. 2015 Feb 12;58(3):1563-8. https://pubmed.ncbi.nlm.nih.gov/25569308/
In vivo activity:	TBD

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	1.0	2.55
	DMSO	1.0	2.55
	DMSO:PBS (pH 7.2) (1:4)	0.3	0.64

Preparing Stock Solutions

The following data is based on the product molecular weight 391.49 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:	Sharma LK, Leonardi R, Lin W, Boyd VA, Goktug A, Shelat AA, Chen T, Jackowski S, Rock CO. A high-throughput screen reveals new small-molecule activators and inhibitors of pantothenate kinases. J Med Chem. 2015 Feb 12;58(3):1563-8. doi: 10.1021/jm501585q. Epub 2015 Jan 21. PMID: 25569308; PMCID: PMC4357395.
In vitro protocol:	Sharma LK, Leonardi R, Lin W, Boyd VA, Goktug A, Shelat AA, Chen T, Jackowski S, Rock CO. A high-throughput screen reveals new small-molecule activators and inhibitors of pantothenate kinases. J Med Chem. 2015 Feb 12;58(3):1563-8. doi: 10.1021/jm501585q. Epub 2015 Jan 21. PMID: 25569308; PMCID: PMC4357395.
In vivo protocol:	TBD

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

Mass

Concentration

Volume

M. Wt* g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Dilution Calculator

Calculate the dilution required to prepare a stock solution.

Concentration 1

Volume 1

Concentration 2

Volume 2

1: Guan J, Barnard L, Cresson J, Hoegl A, Chang JH, Strauss E, Auclair K. Probing the ligand preferences of the three types of bacterial pantothenate kinase. Bioorg Med Chem. 2018 Dec 1;26(22):5896-5902. doi: 10.1016/j.bmc.2018.10.042. Epub 2018 Nov 2. PMID: 30429095.

2: Singla A, Sharma P, Gupta A, Khan NI, Rani C, Singh TP, Sharma S. Biophysical characterization of Type III Pantothenate kinase (PanK) from Acinetobacter baumannii. Protein Pept Lett. 2020 Aug 13. doi: 10.2174/0929866527666200813202445. Epub ahead of print. PMID: 32798368.

3: Shapiro JA, Varga JJ, Parsonage D, Walton W, Redinbo MR, Ross LJ, White EL, Bostwick R, Wuest WM, Claiborne A, Goldberg JB. Identification of Specific and Nonspecific Inhibitors of Bacillus anthracis Type III Pantothenate Kinase (PanK). ChemMedChem. 2019 Jan 8;14(1):78-82. doi: 10.1002/cmdc.201800652. Epub 2018 Dec 3. PMID: 30376607; PMCID: PMC6456334.

4: Sharma LK, Leonardi R, Lin W, Boyd VA, Goktug A, Shelat AA, Chen T, Jackowski S, Rock CO. A high-throughput screen reveals new small-molecule activators and inhibitors of pantothenate kinases. J Med Chem. 2015 Feb 12;58(3):1563-8. doi: 10.1021/jm501585q. Epub 2015 Jan 21. PMID: 25569308; PMCID: PMC4357395.

Your view history

PANKi featured