PI4K-IN-1

• CAT Number: I022786
• CAS Number: 1800017-49-5
• Molecular Formula: C24H27N3O3S
• Molecular Weight: 437.55
• Purity: ≥95%
• Synonyms: 4-[[[6-[1-(cyclopropylmethyl)-2-oxopyridin-4-yl]-1,3-benzothiazol-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
• InChI: InChI=1S/C24H27N3O3S/c28-22-12-19(9-10-27(22)14-16-1-2-16)18-7-8-20-21(11-18)31-24(26-20)25-13-15-3-5-17(6-4-15)23(29)30/h7-12,15-17H,1-6,13-14H2,(H,25,26)(H,29,30)
• InChIKey: LCUPEZBPGVQFLN-UHFFFAOYSA-N
• SMILES: C1CC(CCC1CNC2=NC3=C(S2)C=C(C=C3)C4=CC(=O)N(C=C4)CC5CC5)C(=O)O

PI4K-IN-1 (compound 44) is a potent PI4KIII inhibitor, with pIC50 values of 9.0 and 6.6 for PI4KIIIα and PI4KIIIβ, respectively. PI4K-IN-1 also inhibits PI3Kα/β/γ/δ, with pIC50 values of 4.0/<3.7/5.0/<4.1, respectively[1].

Reference

[1]. Raubo P, et al. Discovery of potent, selective small molecule inhibitors of α-subtype of type III phosphatidylinositol-4-kinase (PI4KIIIα). Bioorg Med Chem Lett. 2015 Aug 15;25(16):3189-93.
 [Content Brief]