For research use only. Not for therapeutic Use.
KHK-IN-3 (Example 1) is a ketohexokinase (KHK) inhibitor. KHK-IN-3 can be used in the study of kidney disease, nonalcoholic steatohepatitis (NASH), diabetes and heart failure. KHK is a rate-limiting enzyme and fructokinase involved in fructose metabolism. KHK catalyzes the phosphorylation of fructose to fructose-1-phosphate (FIP) at the expense of ATP. The lack of feedback inhibition of fructose metabolism triggers the accumulation of downstream intermediates such as lipogenesis, gluconeogenesis, and oxidative phosphorylation[1].
| Catalog Number | I041092 |
| CAS Number | 2568608-48-8 |
| Synonyms | 2-[4-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone |
| Molecular Formula | C18H22F3N7O |
| Purity | ≥95% |
| InChI | InChI=1S/C18H22F3N7O/c1-12-2-5-28(12)17-24-14(8-15(25-17)18(19,20)21)13-9-23-27(10-13)11-16(29)26-6-3-22-4-7-26/h8-10,12,22H,2-7,11H2,1H3/t12-/m0/s1 |
| InChIKey | HAUDFIFEGDNKJX-LBPRGKRZSA-N |
| SMILES | CC1CCN1C2=NC(=CC(=N2)C(F)(F)F)C3=CN(N=C3)CC(=O)N4CCNCC4 |
| Reference | [1]. Coates David Andrew, et al. Preparation of the disubstituted pyrazole compound and their medical applications. United States, US20200392118 A1. 2020-12-17. |
