Pantothenate kinase-IN-3
Pantothenate kinase-IN-3 is an orally active PANK3-selective binder and CoA biosynthesis activator with a human PANK3 Ki of 9.1 nM, human PANK3 Ka of 1.8 nM, human PANK1β Ki of 113 nM, human PANK1β Ka of 23.4 nM, and oral effectiveness.Pantothenate kinase-IN-3 binds PANK3 via a water-mediated interaction between its sulfonamide NH and Gly193, elevates cellular, hepatic, and forebrain CoA levels, and shows improved metabolic stability in mouse and human microsomes.Pantothenate kinase-IN-3 has solubility properties favorable at pH 7.Pantothenate kinase-IN-3 can be used for the research of hepatic metabolic CoA deficiencies (acidemias).
For research use only. We do not sell to patients.
- Formula: C18H21ClFN5O3S
- Molecular Weight:441.91
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
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PanK1β 108.2 nM (Ki) |
PanK3 4.2 nM (Ki) |
Pantothenate kinase-IN-3 (compound 21) (1-10 μM; 24 h) elevates total cellular CoA levels in human C3A liver cells to 154.32% of control when treated at 1 μM for 24 h[1].
Pantothenate kinase-IN-3 (1 μM; up to 4 h) has improved metabolic stability in vitro, with a half-life of 0.87 h in mouse liver microsomes and a half-life greater than 2 h in human liver microsomes at 1 μM[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:human C3A liver cells
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Concentration:1-10 μM
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Incubation Time:24 h
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Result:Elevated total cellular CoA levels.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:C57Bl6/J mice (6−8 weeks old; fed pantothenic acid-supplemented purified diet for 2 weeks prior to treatment)[1]
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Dosage:10 mg/kg
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Administration:p.o.; once daily; 3 days
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Result:Elevated liver CoA levels to ~215% of control (p=0.0048).
Elevated forebrain CoA levels to ~110% of control (no statistically significant increase relative to control, p=not significant).
Did not significantly elevate hindbrain CoA levels relative to control.
Chemical Information
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Molecular Weight 441.91
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Formula C18H21ClFN5O3S
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SMILES
CCS(=O)(NC1=CC=C(CC(N2CCN(C3=NN=C(Cl)C=C3)CC2)=O)C=C1F)=O
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Pantothenate kinase-IN-3 Related Classifications
HY-181917 Related Classifications
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