WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H463165
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.
Hodoodo Cat#: H463165
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
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:
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In vitro activity: | |
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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: | |
In vitro protocol: | |
In vivo protocol: |
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.