Aliskiren-[d6]

General Information
Catalog: BLP-003260
CAS: 1217735-33-5
Molecular Formula: C30H47D6N3O6
Molecular Weight: 557.79
Related CAS: 173334-57-1 (unlabelled)
Description Labelled Aliskiren. 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.
Synonyms (2S,4S,5S,7S)-5-amino-N-[2-carbamoyl-2,2-bis(D3)methylethyl]-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide
IUPAC Name (2S,4S,5S,7S)-5-amino-N-[2-carbamoyl-3,3,3-trideuterio-2-(trideuteriomethyl)propyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
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
InChI InChI=1S/C30H53N3O6/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)/t22-,23-,24-,25-/m0/s1/i5D3,6D3
InChI Key UXOWGYHJODZGMF-SLWFKMMCSA-N
Melting Point 101-102°C
Purity > 98%
Solubility Soluble in Methanol (Slightly), Water (Slightly)
Appearance Off-white to Light Tan Solid
Storage Hygroscopic, -20°C, under inert atmosphere

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