IDH1 Inhibitor 2

• CAT Number: I018960
• CAS Number: 2244895-42-7
• Molecular Formula: C26H22N4O
• Molecular Weight: 406.48
• Purity: ≥95%
• Synonyms: (6aS,7S,10aR)-2-anilino-7-methyl-8-oxo-10a-phenyl-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile
• InChI: InChI=1S/C26H22N4O/c1-17-22-13-12-18-16-28-25(29-21-10-6-3-7-11-21)30-24(18)26(22,14-19(15-27)23(17)31)20-8-4-2-5-9-20/h2-11,14,16-17,22H,12-13H2,1H3,(H,28,29,30)/t17-,22-,26+/m0/s1
• InChIKey: BCWIIGSNDGENBB-VAQYAFAPSA-N
• SMILES: CC1C2CCC3=CN=C(N=C3C2(C=C(C1=O)C#N)C4=CC=CC=C4)NC5=CC=CC=C5

IDH1 Inhibitor 2 (compound 13) is a potent wild-type IDH1 inhibitor via a direct covalent modification of His315, with an IC50 of 110 nM[1].

Reference

[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.
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