ChemSpider 2D Image | Aliskiren fumarate | C64H110N6O16

Aliskiren fumarate

  • Molecular FormulaC64H110N6O16
  • Average mass1219.589 Da
  • Monoisotopic mass1218.797852 Da
  • ChemSpider ID5293624
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Aliskiren fumarate [USAN]
(2E)-2-Butendisäure --(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-methylnonanamid (1:2) [German] [ACD/IUPAC Name]
(2E)-But-2-endisäure--(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(1-methylethyl)nonanamid(1:2)
(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 (2E)-2-butenedioate (2:1) [ACD/IUPAC Name]
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(1-methylethyl)nonanamide (2E)-but-2-enedioate (2:1) (salt)
173334-58-2 [RN]
Acide (2E)-2-butènedioïque - (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-diméthyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-[4-méthoxy-3-(3-méthoxypropoxy)benzyl]-8-méthylnonanamide (1:2) [French] [ACD/IUPAC Name]
acide (2E)-but-2-ènedioïque - (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-diméthyl-3-oxopropyl)-4-hydroxy-7-[4-méthoxy-3-(3-méthoxypropoxy)benzyl]-8-méthyl-2-(1-méthyléthyl)nonanamide (1:2)
Aliskiren hemifumarate
benzeneoctanamide, δ-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-, (αS,γS,δS,ζS)-, (2E)-2-butenedioate (2:1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CGP-60536 [DBID]
SPP 100 [DBID]
SPP 100 | [DBID]
SPP-100 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      RAAS inhibitor; ACE inhibitor TargetMol T1520
    • Chemical Class:

      The hemifumarate salt of aliskiren. ChEBI CHEBI:53777, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53777
    • Bio Activity:

      Aliskiren hemifumarate(CGP 60536) is a direct renin inhibitor with IC50 of 1.5 nM. MedChem Express
      Aliskiren hemifumarate(CGP 60536) is a direct renin inhibitor with IC50 of 1.5 nM.; IC50 value: 1.5 nM [1]; Target: renin; in vitro: 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. MedChem Express HY-12177
      Aliskiren hemifumarate(CGP 60536) is a direct renin inhibitor with IC50 of 1.5 nM.;IC50 value: 1.5 nM [1];Target: renin;In vitro: 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 [2].;In vivo: Aliskiren hemifumarate (< 10 mg/kg, oral) inhibits plasma renin activity and lowers blood pressure in sodium-depleted marmosets[3].Once-daily oral treatment with Aliskiren hemifumarate lowers blood pressure effectively, with a safety and tolerability profile, in patients with mild-to-moderate hypertension[4]. MedChem Express HY-12177
      Angiogenesis;Endocrinology/ Hormones TargetMol T1520
      Enzymes Tocris Bioscience 5491
      Metabolism/Protease MedChem Express HY-12177
      Metabolism/Protease; MedChem Express HY-12177
      Other Proteases Tocris Bioscience 5491
      Potent renin inhibitor (IC50 = 0.6 and 80 nM for human and rat respectively). Exhibits selectivity for renin over a range of other aspartic proteinases (>5000 nM). Lowers blood pressure in a hypertens ive rodent model. Orally active. Tocris Bioscience 5491
      Potent renin inhibitor (IC50 = 0.6 and 80 nM for human and rat respectively). Exhibits selectivity for renin over a range of other aspartic proteinases (>5000 nM). Lowers blood pressure in a hypertensive rodent model. Orally active. Tocris Bioscience 5491
      Potent renin inhibitor; antihypertensive Tocris Bioscience 5491
      Proteases Tocris Bioscience 5491
      Renin MedChem Express HY-12177
      renin TargetMol T1520

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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