For research use only. Not for therapeutic Use.
KHK-IN-2 is a potent and selective ketohexokinase (KHK) inhibitor with an IC50 of 0.45 μM.
| Catalog Number | I019423 |
| CAS Number | 2135304-43-5 |
| Synonyms | 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Formula | C16H19F3N4O3 |
| Purity | ≥95% |
| InChI | InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1 |
| InChIKey | FAXXYODRCHXHTQ-HUBLWGQQSA-N |
| SMILES | CC1(CCN(C1)C2=C(C(=CC(=N2)N3CC(C(C3)O)O)C(F)(F)F)C#N)O |
| Reference | [1]. Huard K, et al. Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J Med Chem. 2017 Sep 28;60(18):7835-7849. |
