2244895-42-7
Chemical Structure
IDH1 Inhibitor 2
- CAS No.: 2244895-42-7
- Formula:C26H22N4O
- Molecular Weight:406.48
IUPAC Name: (6aS,7S,10aR)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
InChIKey: BCWIIGSNDGENBB-VAQYAFAPSA-N
SMILES: N#CC1=C[C@@]2(C3=CC=CC=C3)[C@](CCC4=C2N=C(NC5=CC=CC=C5)N=C4)([H])[C@H](C)C1=O
Biological Activity: IDH1 Inhibitor 2 (compound 13) is a potent wild-type IDH1 inhibitor that exerts its activity through covalent modification of His315 with an IC50 value of 110 nM. IDH1 Inhibitor 2 can dose-dependently reduce the intracellular reduced glutamine metabolic flux, thereby affecting cellular metabolic homeostasis. IDH1 Inhibitor 2 can be used to study the role of IDH1 in cellular metabolic regulation and cancer development[1][2].
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IDH1 Inhibitor 2 | 98.70% | IDH1 Inhibitor 2 (compound 13) is a potent wild-type IDH1 inhibitor that exerts its activity through covalent modification of His315 with an IC50 value of 110 nM. IDH1 Inhibitor 2 can dose-dependently reduce the intracellular reduced glutamine metabolic flux, thereby affecting cellular metabolic homeostasis. IDH1 Inhibitor 2 can be used to study the role of IDH1 in cellular metabolic regulation and cancer development. | ||||||||||||||||||||
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- [1]. Jakob CG, et al. Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J Med Chem. 2018 Aug 9;61(15):6647-6657. [Content Brief]
- [2]. Wt-IDH1 inhibition using a covalent and brain-penetrant small molecular inhibitor for ferroptosis induction in high-grade glioma. World Intellectual Property Organization, WO2023092034 A1 2023-05-25.
Keywords