SML2077

Aliskiren hemifumarate

≥95% (HPLC)

• Sinónimos: (2S,4S,5S,7S)-N-(2-Carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7diisopropyl-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-octanamide hemifumarate, CGP-60536, CGP60536B, Rasilez, SPP-100
• Fórmula empírica (notación de Hill): C₃₀H₅₃N₃O₆ · 0.5 C₄H₄O₄
• Número de CAS: 173334-58-2
• Peso molecular: 609.79
• Número MDL: MFCD27756642
• Código UNSPSC: 12352200
• NACRES: NA.77

Propiedades

• Análisis: ≥95% (HPLC)
• formulario: powder
• color: white to beige
• solubilidad: DMSO: 2 mg/mL, clear
• temp. de almacenamiento: −20°C
• cadena SMILES: CC(C)[C@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(NCC(C)(C)C(N)=O)=O)CC1=CC=C(OC)C(OCCCOC)=C1.OC(/C=C/C(O)=O)=O
• InChI: 1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1
• Clave InChI: KLRSDBSKUSSCGU-KRQUFFFQSA-N

Descripción

Acciones bioquímicas o fisiológicas

Aliskiren hemifumarate (ALS) has been used to treat hypertension, alone or with other antihypertensive medications. It is suitable for oral administration. ALS regulates baseline systolic and diastolic blood pressure by blocking the catalytic activity of renin system at its rate-limiting step.

Aliskiren is a potent nonpeptide direct renin inhibitor with an IC50 value of 0.6 nM. It has antihypertensive activity, decreasing plasma renin activity and inhibiting the conversion of angiotensinogen to Angiotensin I by binding to the S3 sub-pocket of renin.

Información de seguridad

• Código de clase de almacenamiento: 11 - Combustible Solids
• Clase de riesgo para el agua (WGK): WGK 3