SML3129

NIK SMI1

≥95% (HPLC)

• Sinónimos: (R)-6-(3-((3-Hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-ethynyl)phenyl)-4-methoxypicolinamide, 6-[3-[2-[(3R)-3-Hydroxy-1-methyl-2-oxo-3-pyrrolidinyl]ethynyl]phenyl]-4-methoxy-2-pyridinecarboxamide, NIK small molecule inhibitor 1, NIK-SMI1
• Fórmula empírica (notación de Hill): C₂₀H₁₉N₃O₄
• Número de CAS: 1660114-31-7
• Peso molecular: 365.38
• Número MDL: MFCD31715434
• Código UNSPSC: 12352200
• NACRES: NA.77

Propiedades

• Nivel de calidad: 100
• Ensayo: ≥95% (HPLC)
• Formulario: powder
• color: white to beige
• solubilidad: DMSO: 2 mg/mL, clear
• temp. de almacenamiento: 2-8°C
• cadena SMILES: NC(C1=NC(C2=CC(C#C[C@]3(C(N(CC3)C)=O)O)=CC=C2)=CC(OC)=C1)=O
• InChI: 1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1
• Clave InChI: LQSHXYHWYGKAMX-FQEVSTJZSA-N

Descripción

Acciones bioquímicas o fisiológicas

NIK SMI1 is an orally active, ATP site-targeting, potent and selective NF-κB-inducing kinase inhibitor (h/m NIK IC50 = 230/395 pM; hKHS1/hPKD1/hLRRK2 = 49.6/75.2/247.8 nM) that selectively disrupts noncanonical NF-κB signaling (anti-LTβR-induced p52 nuclear translocation IC50 = 70 nM; TNFα-induced p65 RelA nuclear translocation IC50 >2 μM). SMI1 inhibits BAFF receptor- and CD40-mediated singling in cultures (human and murine B-cells) and shows in vivo efficacy in the NZB/W F1 murine experimental lupus model (6-400 mg/kg/day, b.i.d. p.o.).

Orally active NF-κB-inducing kinase (NIK) inhibitor that selectively disrupts noncanonical NF-κB activation with in vivo efficacy in murine experimental lupus model.

Información de seguridad

• Código de clase de almacenamiento: 11 - Combustible Solids
• Clase de riesgo para el agua (WGK): WGK 3
• Punto de inflamabilidad (°F): Not applicable
• Punto de inflamabilidad (°C): Not applicable