SML1753

XMD17-109

≥98% (HPLC)

• Sinónimos: 11-Cyclopentyl-2-((2-ethoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)-phenyl)amino)-5-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, ERK5-IN-1
• Fórmula empírica (notación de Hill): C₃₆H₄₆N₈O₃
• Número de CAS: 1435488-37-1
• Peso molecular: 638.80
• Código UNSPSC: 12352200
• NACRES: NA.77

Propiedades

• Nivel de calidad: 100
• Ensayo: ≥98% (HPLC)
• Formulario: powder
• color: white to beige
• solubilidad: DMSO: 20 mg/mL, clear
• temp. de almacenamiento: −20°C
• cadena SMILES: N7(CCN(CC7)C)C1CCN(CC1)C(=O)c2cc(c(cc2)Nc3nc4[n](c6c([c]([n](c4cn3)C)=O)cccc6)C5CCCC5)OCC
• InChI: 1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)
• Clave InChI: XVBGRTMNFNMINE-UHFFFAOYSA-N

Descripción

Acciones bioquímicas o fisiológicas

XMD17-109 is a cell-permeable, non-cytotoxic ATP site-targeting pyrimido-diazepinone derivative that acts as a potent inhibitor against ERK5 (MAPK7, BMK1) kinase activity in cell-free assay, and EGF-induced ERK5 autophosphorylation in HeLa cells.

XMD17-109 is a cell-permeable, non-cytotoxic ATP site-targeting pyrimido-diazepinone derivative that acts as potent inhibitor against ERK5 (MAPK7, BMK1) kinase activity in cell-free assay (IC₅₀ = 162 nM; [ATP] = 50 μM) and EGF-induced ERK5 autophosphorylation in HeLa cells (IC₅₀  = 90 nM). XMD17-109 displayed excellent target selectivity on a 442-kinase panel. XMD17-109 effectively inhibits inflammatory stimuli-induced IL-6 and IL-8 production from human endothelial cells in vitro and protects mice from LPS-induced mortality and systemic inflammation & coagulopathy in vivo with good pharmacokinetics.

Información de seguridad

• Pictogramas: GHS07
• Palabra de señalización: Warning
• Frases de peligro: H315,H319
• Consejos de prudencia: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• Clasificaciones de peligro: Eye Irrit. 2 - Skin Irrit. 2
• 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