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CAS No 173334-57-1 , Aliskiren

  • Name: Aliskiren
  • Synonyms: Aliskiren & its intermediates(R&D); Aliskiren Base;Aliskiren;
  • CAS Registry Number:
  • Density: 1.067 g/cm3
  • Molecular Weight: 551.76
  • InChI: InChI=1/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
  • Molecular Formula: C30H53N3O6
  • Molecular Structure:CAS No:173334-57-1 Aliskiren

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References of Aliskiren
Title: Aliskiren
CAS Registry Number: 173334-57-1
CAS Name: (aS,gS,dS,zS)-d-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-g-hydroxy-4-methoxy-3-(3-methoxypropoxy)-a,z-bis(1-methylethyl)benzeneoctanamide
Synonyms: (2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide; 5S-amino-4S-hydroxy-2S,7S-diisopropyl-8-[4-methoxy-3-(3-methoxypropyloxy)phenyl]octanoic acid N-(2-carbamoyl-2,2-dimethylethyl)amide
Manufacturers' Codes: CGP-60536
Molecular Formula: C30H53N3O6
Molecular Weight: 551.76
Percent Composition: C 65.30%, H 9.68%, N 7.62%, O 17.40%
Literature References: Orally active, synthetic nonpeptide renin inhibitor. Prepn: R. G?schke et al., EP 678503; eidem, US 5559111 (1995, 1996 both to Ciba-Geigy); H, Rüeger et al., Tetrahedron Lett. 41, 10085 (2000). Synthesis: A. Dondoni et al., ibid. 42, 4819 (2001). Determn by HPLC in biological fluids: G. Lefevre, S. Gauron, J. Chromatogr. B 738, 129 (2000); by RIA in plasma: G. Lefevre et al., J. Immunoassay 21, 65 (2000). Structure activity study: J. M. Wood et al., Biochem. Biophys. Res. Commun. 308, 698 (2003). Clinical pharmacology: J. Nussberger et al., Hypertension 39, e1 (2002). Clinical study: A. H. Gradman et al., Circulation 111, 1012 (2005). Review of development and therpaeutic potential: K. Allikmets, Curr. Opin. Invest. Drugs 3, 1479-1482 (2002).
Properties: pKa 9.49. Log P (octanol/water): 2.45 (pH 7.4). Soly in water: >350 mg/ml (pH 7.4).
pKa: pKa 9.49
Log P: Log P (octanol/water): 2.45 (pH 7.4)
 
Derivative Type: Hemifumarate
CAS Registry Number: 173334-58-2
Manufacturers' Codes: CGP-60536B; SPP-100
Trademarks: Rasilez (Novartis)
Molecular Formula: 2C30H53N3O6.C4H4O4
Molecular Weight: 1219.59
Percent Composition: C 63.03%, H 9.09%, N 6.89%, O 20.99%
 
Therap-Cat: Antihypertensive.
Keywords: Antihypertensive; Renin Inhibitor.