BRD2879

• CAT Number: I004955
• CAS Number: 1304750-47-7
• Molecular Formula: C30H38FN3O5S
• Molecular Weight: 571.7084
• Purity: ≥95%
• Target: IDH1 inhibitor
• Solubility: Soluble in DMSO
• Storage: 0 - 4 °C for short term or -20 °C for long term
• IUPAC Name: 3-cyclohexyl-1-[[(4R,5R)-8-[2-(3-fluorophenyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1λ6,2-benzoxathiazocin-5-yl]methyl]-1-methylurea
• InChI: InChI=1S/C30H38FN3O5S/c1-21-18-34(22(2)20-35)40(37,38)29-15-14-24(13-12-23-8-7-9-25(31)16-23)17-27(29)39-28(21)19-33(3)30(36)32-26-10-5-4-6-11-26/h7-9,14-17,21-22,26,28,35H,4-6,10-11,18-20H2,1-3H3,(H,32,36)/t21-,22+,28+/m1/s1
• InChIKey: YAJYINBQFXCAPI-WENCSYSZSA-N
• SMILES: FC1=CC(C#CC2=CC(O[C@@H](CN(C(NC3CCCCC3)=O)C)[C@H](C)CN([C@@H](C)CO)S4(=O)=O)=C4C=C2)=CC=C1

BRD2879(CAT: I004955) is a potent and cell-active inhibitor of IDH1-R132H, with an IC50 value of 50 nM for inhibiting the IDH1-R132H enzyme. It belongs to a new structural class of mutant IDH1 inhibitors and shows promise for studying the enzyme and its role in cancer. The distinct structure of BRD2879 sets it apart from previously reported probes, making it a valuable compound for further optimization and research in the field.

Reference

1.Discovery of 8-Membered Ring Sulfonamides as Inhibitors of Oncogenic Mutant Isocitrate Dehydrogenase 1
Jason M. Law, Sebastian C. Stark, Ke Liu, Norah E. Liang, Mahmud M. Hussain, Matthias Leiendecker, Daisuke Ito, Oscar Verho, Andrew