2759438-85-0
Chemical Structure
Crelosidenib gentisate
Synonym(s): LY3410738 gentisate; Mutant IDH1-IN-6 gentisate
- CAS No.: 2759438-85-0
- Formula:C42H48N6O11
- Molecular Weight:812.86
InChIKey: XQWBGFYMSJJBDD-JVVPNVHDSA-N
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
Biological Activity: 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].
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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. | |||||||||||||||||||||
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Keywords
