Aliskiren Hemifumarate

• CAT Number: A000605
• CAS Number: 173334-58-2
• Molecular Formula: C₃₀H₅₃N₃O₆ • ½C₄H₄O₄
• Molecular Weight: 609.79
• Purity: ≥95%
• Target: Renin
• Solubility: >58.5mg/mL in DMSO
• Storage: 3 years -20C powder
• InChI: InChI=1S/C30H53N3O6.C4H4O4/c1-19(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/h10-11,15,19-20,22-25,34H,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
• InChIKey: RSFGNDXWVZPKJA-KVBHIGNWSA-N
• SMILES: CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=CC(=O)O)C(=O)O

Aliskiren hemifumarate is a direct renin inhibitor with IC50 of 1.5 nM.
Aliskiren hemifumarate appears to bind to both the hydrophobic S1/S3-binding pocket and to a large, distinct subpocket that extends from the S3-binding site towards the hydrophobic core of renin. Oral bioavailability of Aliskiren hemifumarate is 2.4% in rats, 16% in marmosets and about 2.5% in humans.
Aliskiren hemifumarate (< 10 mg/kg, oral) inhibits plasma renin activity and lowers blood pressure in sodium-depleted marmosets.