Mutant IDH1 inhibitor

• CAT Number: I001646
• CAS Number: 1429180-08-4
• Molecular Formula: C25H34N6O3
• Molecular Weight: 466.586
• Purity: ≥95%
• Target: Dehydrogenase
• Solubility: DMSO: ≥ 34 mg/mL
• Storage: Store at -20C
• IC50: < 72 nM [1]
• IUPAC Name: (4S)-3-[2-[[(1S)-1-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• InChI: InChI=1S/C25H34N6O3/c1-17(2)22-16-34-25(33)31(22)23-9-10-26-24(28-23)27-18(3)21-7-5-20(6-8-21)15-29-11-13-30(14-12-29)19(4)32/h5-10,17-18,22H,11-16H2,1-4H3,(H,26,27,28)/t18-,22+/m0/s1
• InChIKey: BEWLUEOYYPKPQL-PGRDOPGGSA-N
• SMILES: CC(C)C1COC(=O)N1C2=NC(=NC=C2)NC(C)C3=CC=C(C=C3)CN4CCN(CC4)C(=O)C

Mutant IDH1 Inhibitor is a potent mutant IDH1 R132H inhibitor with IC50 of < 72 nM.IC50 value: < 72 nM [1]Target: mutant IDH1 R132HMore information can be found in Patent WO 2013046136 A1 20130404 (Example 556)3-Pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH and their preparationBy Cho, Young Shin; Levell, Julian Roy; Toure, Bakary-Barry; Yang, Fan; Caferro, Thomas;Lei, Huangshu; Lenoir, Francois; Liu, Gang; Palermo, Mark G.; Shultz, Michael David; et alFrom PCT Int. Appl. (2013), WO 2013046136 A1 20130404.

Reference

[1]. 3-Pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH and their preparation. Patent WO 2013046136 A1 20130404