Mutant IDH1-IN-4

• CAT Number: I019448
• CAS Number: 1416270-18-2
• Molecular Formula: C25H34N4O3
• Molecular Weight: 438.56
• Purity: ≥95%
• Synonyms: 8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• InChI: InChI=1S/C25H34N4O3/c1-25(2)12-18-19(13-26)24(27-23(17-6-7-17)20(18)15-32-25)28-9-10-29(22(30)8-11-31-3)21(14-28)16-4-5-16/h16-17,21H,4-12,14-15H2,1-3H3/t21-/m0/s1
• InChIKey: GNDMXEAGAZOBEM-NRFANRHFSA-N
• SMILES: CC1(CC2=C(CO1)C(=NC(=C2C#N)N3CCN(C(C3)C4CC4)C(=O)CCOC)C5CC5)C

Mutant IDH1-IN-4 (compound 434) is an inhibitor of mutant Isocitrate dehydrogenase 1 (IDH 1), with IC50 values of ≤ 0.5 μM for mutant IDH1 in R132H, HT1080 and U87R132H cells[1].

Reference

[1]. US20170210749A1.