Remibrutinib

Remibrutinib is a covalent inhibitor of Bruton's tyrosine kinase (BTK. IC50 = 1. nM). It selectively binds to BTK over bone marrow tyrosine kinase on chromosome X (BMX) and Tec (Kds = 0. 540, and 110 nM, respectively), as well as IL-2-inducible T cell kinase (Itk), EGFR, HER2, HER4, and JAK3 (Kds = >10,000 nM for all). Remibrutinib is also selective for BTK over a panel of 456 kinases at 1 µM and a panel of 85 receptors, transporters, enzymes, and ion channels at 10 µM. It inhibits anti-IgM-induced activation of primary human B cells (IC50 = 18 nM). Remibrutinib (3 mg/kg) inhibits the formation of IgM antibodies against sheep red blood cells in mice. It also decreases paw swelling in a rat model of collagen-induced arthritis. Formulations containing remibrutinib have been used in the treatment of chronic spontaneous urticaria. Formal Name: N-[3-[6-amino-5-[2-[methyl(1-oxo-2-propen-1-yl)amino]ethoxy]-4-pyrimidinyl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluoro-benzamide. CAS Number: 1787294-07-8. Synonyms: LOU064. Molecular Formula: C27H27F2N5O3. Formula Weight: 507.5. Purity: >98%. Formulation (Request formulation change): A solid. Solubility: DMSO: Soluble: >10 mg/ml. SMILES: O=C(C(C(F)=C1)=CC=C1C2CC2)NC3=CC(F)=CC(C4=C(OCCN(C(C=C)=O)C)C(N)=NC=N4)=C3C. InChi Code: InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32). InChi Key: CUABMPOJOBCXJI-UHFFFAOYSA-N. Storage: -20°C. Stability: > 4 years.