MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 463165 | Name: PANKi
Featured

Description:

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

Pantothenate Kinase Inhibitor (PANKi) is a reversible inhibitor of pantothenate kinase, the rate-limiting enzyme in the synthesis of coenzyme A. PANKi 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
PANKi
CAS#902614-04-4

Theoretical Analysis

MedKoo Cat#: 463165

Name: PANKi

CAS#: 902614-04-4

Chemical Formula: C21H21N5OS

Exact Mass: 391.1467

Molecular Weight: 391.49

Elemental Analysis: C, 64.43; H, 5.41; N, 17.89; O, 4.09; S, 8.19

Price and Availability

Size Price Availability Quantity
5mg USD 300.00 2 Weeks
10mg USD 550.00 2 Weeks
25mg USD 950.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
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
Solvent mg/mL mM
Solubility
DMF 1.0 2.55
DMSO 1.0 2.55
DMSO:PBS (pH 7.2) (1:4) 0.3 0.64
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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
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
1: Chen SY, Lin CC, Wu J, Chen Y, Wang YE, Setayeshpour Y, Mestre A, Chi JT. NINJ1 regulates ferroptosis via xCT antiporter interaction and CoA modulation. bioRxiv [Preprint]. 2024 Feb 27:2024.02.22.581432. doi: 10.1101/2024.02.22.581432. PMID: 38464226; PMCID: PMC10925083. 2: Kumar P, Shah P, Awasthi V, Khera B, Agarwal M, Lakhtakia M, Kumar D. Anemia in Pregnancy: A knowledge, Attitude and Practice Survey Amongst Obstetricians and Gynaecologists in India. J Obstet Gynaecol India. 2022 Oct;72(5):382-388. doi: 10.1007/s13224-022-01618-x. Epub 2022 Apr 26. PMID: 36458064; PMCID: PMC9568627. 3: Khan S, Zeyad MT, Malik A. Genotoxicity assessment of textile waste contaminated soil and characterization of textile dye degradation by a novel indigenous bacterium Ochrobactrum intermedium BS39. Chemosphere. 2022 Jul;299:134082. doi: 10.1016/j.chemosphere.2022.134082. Epub 2022 Feb 23. PMID: 35218787. 4: Pal Y, Bandyopadhyay N, Pal RS, Ahmed S, Bandopadhyay S. Perspective and Potential of A2A and A3 Adenosine Receptors as Therapeutic Targets for the Treatment of Rheumatoid Arthritis. Curr Pharm Des. 2019;25(26):2859-2874. doi: 10.2174/1381612825666190710111658. PMID: 31291875. 5: Khan S, Anas M, Malik A. Mutagenicity and genotoxicity evaluation of textile industry wastewater using bacterial and plant bioassays. Toxicol Rep. 2019 Feb 15;6:193-201. doi: 10.1016/j.toxrep.2019.02.002. PMID: 30859068; PMCID: PMC6396094. 6: Pandey VC, Mishra T. Assessment of Ziziphus mauritiana grown on fly ash dumps: Prospects for phytoremediation but concerns with the use of edible fruit. Int J Phytoremediation. 2018;20(12):1250-1256. doi: 10.1080/15226514.2016.1267703. PMID: 27936885. 7: de Villiers M, Barnard L, Koekemoer L, Snoep JL, Strauss E. Variation in pantothenate kinase type determines the pantothenamide mode of action and impacts on coenzyme A salvage biosynthesis. FEBS J. 2014 Oct;281(20):4731-53. doi: 10.1111/febs.13013. Epub 2014 Oct 7. PMID: 25156889. 8: Bhide B, Pillai AP, Shukla VJ, Acharya RN. Pharmacognostic evaluation of leaf of Cordia macleodii Hook., An ethnomedicinally important plant. Ayu. 2011 Apr;32(2):254-7. doi: 10.4103/0974-8520.92551. PMID: 22408312; PMCID: PMC3296350. 9: Rawat M, Ramanathan A, Subramanian V. Quantification and distribution of heavy metals from small-scale industrial areas of Kanpur city, India. J Hazard Mater. 2009 Dec 30;172(2-3):1145-9. doi: 10.1016/j.jhazmat.2009.07.115. Epub 2009 Aug 4. PMID: 19699581. 10: Rani A, Shouche YS, Goel R. Declination of copper toxicity in pigeon pea and soil system by growth-promoting Proteus vulgaris KNP3 strain. Curr Microbiol. 2008 Jul;57(1):78-82. doi: 10.1007/s00284-008-9156-2. Epub 2008 Apr 8. PMID: 18392891. 11: Yang K, Strauss E, Huerta C, Zhang H. Structural basis for substrate binding and the catalytic mechanism of type III pantothenate kinase. Biochemistry. 2008 Feb 5;47(5):1369-80. doi: 10.1021/bi7018578. Epub 2008 Jan 11. PMID: 18186650. 12: Prakash O, Lal R. Description of Sphingobium fuliginis sp. nov., a phenanthrene-degrading bacterium from a fly ash dumping site, and reclassification of Sphingomonas cloacae as Sphingobium cloacae comb. nov. Int J Syst Evol Microbiol. 2006 Sep;56(Pt 9):2147-2152. doi: 10.1099/ijs.0.64080-0. PMID: 16957112. 13: Tripathi M, Munot HP, Shouche Y, Meyer JM, Goel R. Isolation and functional characterization of siderophore-producing lead- and cadmium-resistant Pseudomonas putida KNP9. Curr Microbiol. 2005 May;50(5):233-7. doi: 10.1007/s00284-004-4459-4. Epub 2005 Apr 18. PMID: 15886913.