Pantothenate kinase-IN-2

• CAT Number: I034199
• CAS Number: 902614-04-4
• Molecular Formula: C21H21N5OS
• Molecular Weight: 391.49
• Purity: ≥95%
• Synonyms: 3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(3-methylsulfanylphenyl)propanamide
• InChI: 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)
• InChIKey: UNCZUEUPSJKHGB-UHFFFAOYSA-N
• SMILES: CC1=C(C(=NC2=C3C=CC=NC3=NN12)C)CCC(=O)NC4=CC(=CC=C4)SC

Pantothenate kinase-IN-2 is a potent Pantothenate kinase 1/3 (PanK1/3) inhibitor with an IC50 of 0.14 μM and 0.36 μM. Pantothenate kinase-IN-2 is a promising agent for PKAN (PanK-associated neurodegeneration) and diabetes research[1].

Reference

[1]. Lalit Kumar Sharma, et al. A high-throughput screen reveals new small-molecule activators and inhibitors of pantothenate kinases. J Med Chem. 2015 Feb 12;58(3):1563-8.
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