SML1254

R547

≥98% (HPLC)

• Sinónimos: Ro 4584820, [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone
• Fórmula empírica (notación de Hill): C₁₈H₂₁F₂N₅O₄S
• Número de CAS: 741713-40-6
• Peso molecular: 441.45
• Número MDL: MFCD09970629
• Código UNSPSC: 12352200
• ID de la sustancia en PubChem: 329825746
• NACRES: NA.77

Propiedades

• Nivel de calidad: 100
• Análisis: ≥98% (HPLC)
• formulario: powder
• color: white to beige
• solubilidad: DMSO: 5 mg/mL, clear (warmed)
• temp. de almacenamiento: 2-8°C
• cadena SMILES: NC1=NC(NC2CCN(S(=O)(C)=O)CC2)=NC=C1C(C3=C(OC)C=CC(F)=C3F)=O
• InChI: 1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
• Clave InChI: JRNJNYBQQYBCLE-UHFFFAOYSA-N
• Información sobre el gen: human ... CDK1(983) , CDK2(1017) , CDK4(1019)

Descripción

Acciones bioquímicas o fisiológicas

R547 is a potent and selective ATP-competitive inhibitor of Cyclin-Dependent Kinases (CDK) 1, 2 and 4 with Ki of 2 nM for CDK1/cyclin B, 3 nM for CDK2/cyclin E, and 1 nM for CDK4/cyclin D1. R547 is less potent for CDK7 and GSK3α/β, and inactive (Ki > 5,000 nmol/L) against a panel of >120 unrelated kinases. R547 was shown to inhibit retinoblastoma protein in tumor cells and xenografts and showed up to 95% tumor growth inhibition in the HCT116 human colorectal tumor xenograft model in nude mice.

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