Fedratinib hydrochloride hydrate

• CAT Number: I015076
• CAS Number: 1374744-69-0
• Molecular Formula: C₂₇H₄₀Cl₂N₆O₄S
• Molecular Weight: 615.62
• Purity: ≥95%
• IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;hydrate;dihydrochloride
• InChI: InChI=1S/C27H36N6O3S.2ClH.H2O/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4;;;/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31);2*1H;1H2
• InChIKey: QAFZLTVOFJHYDF-UHFFFAOYSA-N
• SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4.O.Cl.Cl

Fedratinib hydrochloride hydrate (Cat No.:I015076) is an orally active and selective JAK2 inhibitor that competes with ATP. It has potent activity with IC50s of 3 nM against both JAK2 and JAK2V617F kinase. Compared to JAK1 and JAK3, Fedratinib hydrochloride hydrate is 35- and 334-fold more selective, respectively. It can induce apoptosis in cancer cells and holds promise for research into myeloproliferative disorders.

Reference

[1]. Wernig G, et al. Efficacy of TG101348, a selective JAK2 inhibitor, in treatment of a murine model of JAK2V617F-induced polycythemia vera. Cancer Cell. 2008 Apr;13(4):311-20.[2]. Geron I, et al. Selective inhibition of JAK2-driven erythroid differentiation of polycythemia vera progenitors. Cancer Cell. 2008 Apr;13(4):321-30.