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Aliskiren Hydrochloride , CAS No.173399-03-6
a synthetic non-pepetide renin inhibitor
Basic Description Synonyms AM84607 | Tox21_113592 | Aliskiren hydrochloride | (2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide hydrochloride | BSJUIBZAXCXFMZ-NATPOTRJSA-N | J-010902 | DTXSID Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Product Description Aliskiren hydrochloride is a direct renin inhibitor with an IC|50|= 0.72 nM. Renin is the first enzyme in the renin-angiotensin-aldosterone system (RAAS) and cleaves angiotensinogen, an inactive peptide, into angiotensin I. Inhibition of renin prevents this cleavage and subsequent activiation of angiotensin II receptors.
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochloride INCHI InChI=1S/C30H53N3O6.ClH/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;/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1H/t22-,23-,24-,25-;/m0./s1 InChi Key BSJUIBZAXCXFMZ-NATPOTRJSA-N Canonical 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.Cl Isomeric SMILES CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl RTECS DA6613500 PubChem CID 23625795 Molecular Weight 588.22
Chemical and Physical Properties Solubility Soluble in methanol, chloroform, and water. Refractive Index n20D1.51 (Predicted) Melt Point(°C) 76-78° C
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