Aliskiren Hemifumarate


CAS No. : 173334-58-2

Aliskiren Hemifumarate,173334-58-2
Product Details
Cat No:A000605
Synonyms:(αS,γS,δS,zS)-δ-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,z-bis(1-methylethyl)benzeneoctanamide Hemifumarate; CGP 60536; CGP60536B; Rasilez Hemifumarate; SPP 100; Tekturna Hemifumarate;
Molecular Formula:C₃₀H₅₃N₃O₆ • ½C₄H₄O₄
Molecular Weight:609.79
Target:Renin
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Assay:≥95%
Appearance:A crystalline solid
Cat No:A000605
Cas No:173334-58-2
Product-Name:Aliskiren Hemifumarate
MDL No:MFCD10566724
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.
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