Upadacitinib , 99% , 1310726-60-3

CAS NO.：1310726-60-3

Empirical Formula: C17H19F3N6O

Molecular Weight: 380.37

MDL number: MFCD30502663

PRODUCT Properties

• Density: 1.56±0.1 g/cm3(Predicted)
• storage temp.: Store at -20°C
• solubility: DMSO:42.67(Max Conc. mg/mL);112.17(Max Conc. mM); DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.31(Max Conc. mM); DMF:30.0(Max Conc. mg/mL);78.87(Max Conc. mM); Ethanol:76.0(Max Conc. mg/mL);199.8(Max Conc. mM)
• form: A crystalline solid
• pka: 11.89±0.60(Predicted)
• color: White to off-white
• InChI: InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1
• InChIKey: WYQFJHHDOKWSHR-MNOVXSKESA-N
• SMILES: N1(C(NCC(F)(F)F)=O)C[C@H](C2N3C4C=CNC=4N=CC3=NC=2)[C@H](CC)C1

Description and Uses

Upadacitinib is a JAK1 inhibitor (IC₅₀ = 47 nM). It is selective for JAK1 over JAK3 and tyrosine kinase 2 (Tyk2; IC₅₀s = 2,304 and 4,690 nM, respectively), as well as a panel of 83 additional kinases at 1 μM, but does inhibit JAK2, Rho-associated kinase I (ROCK1), and ROCK2 (IC₅₀s = 120, 920, and 430 nM, respectively). Upadacitinib decreases cytokine-induced STAT phosphorylation in a variety of human cells with IC₅₀ values ranging from 1.6 to 649 nM. It reduces M. tuberculosis-induced paw swelling and bone erosion in a rat model of arthritis when administered at doses of 1, 3, and 10 mg/kg twice per day for 17 days. Formulations containing upadacitinib have been used in the treatment of rheumatoid arthritis.

Upadacitinib also known as ABT-494, is a potent and selective Janus kinase (JAK) 1 inhibitor  being developed for the treatment of several autoimmune disorders, Janus kinase inhibitors for rheumatoid arthritis. It is used to treat moderate to severely active rheumatoid arthritis, active psoriatic arthritis, ankylosing spondylitis, non-radiographic axial spondyloarthritis (a type of arthritis in the spine) with objective signs of swelling, moderate to severe ulcerative colitis, and moderate to severe Crohn's disease in patients who have taken other medicines (eg, methotrexate) that did not work well. It is also used to treat moderate to severe atopic dermatitis (eczema) in patients who have taken other medicines that did not work well and whose condition is not well controlled with other treatments or in patients who cannot tolerate these treatments.  It is also used to treatpsoriatic arthritis, axial SpA and Giant Cell Arteritis and Takayasu Arteritis.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P280-P305+P351+P338