Crelosidenib (gentisate)

Crelosidenib (gentisate) is a potent, selective and orally active mutant isocitrate dehydrogenase (IDH) inhibitor with IC50 of 6.27 nM, 3.71 nM, 36.9 nM and 11.5 nM for IDH1 R132H, IDH1 R132C, IDH2 R140Q and IDH2 R172K mutant enzymes, respectively. Crelosidenib (gentisate) is less active at inhibiting the IDH wild-type enzymes[1].

Product Specifications

CAS Number

[2759438-85-0]

Product Name Alternative

LY3410738 (gentisate) ; Mutant IDH1-IN-6 (gentisate)

UNSPSC

12352005

Target

Isocitrate Dehydrogenase (IDH)

Related Pathways

Metabolic Enzyme/Protease

Field of Research

Cancer

Smiles

OC(C1=C(C=CC(O)=C1)O)=O.O=C2OCC3=CN=C(N=C3N2CC)N[C@@H](C)C(C=C4)=CC=C4[C@@H](N5CCN(CC5)C(C=C)=O)CC6CC6.OC(C7=C(C=CC(O)=C7)O)=O

Molecular Formula

C42H48N6O11

Molecular Weight

812.86

References & Citations

[1]Renato Alejandro BAUER, et al. 7-phenylethylamino-4h-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant idh1 and idh2 inhibitors. WO2018111707A1.