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Aliskiren fumarate

Molecular FormulaC₆₄H₁₁₀N₆O₁₆
Average mass1219.589 Da
Monoisotopic mass1218.797852 Da
ChemSpider ID5293624

- Double-bond stereo

More details:

Names and Synonyms
Database ID(s)

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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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 ) (salt) [ACD/Index Name]

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) (salt)

C8A0P8G029

Rasilez [Trade name]

tekturna

(2E)-but-2-enedioic acid; bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide)

(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 hemifumarate

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methylnonanamide

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-nonanamide

(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

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-yl-nonanamide

(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 and (E)-but-2-enedioic acid

(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; (E)-2-butenedioic acid

(2S,4S,5S,7S)-5-amino-N-(3-amino-3-keto-2,2-dimethyl-propyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-pelargonamide

[173334-58-2] [RN]

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; but-2-enedioic acid

Aliskiren (hemifumarate)

Aliskiren fumarate (JAN)

aliskirenhemifumarate

bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide); but-2-enedioic acid

bis((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) fumarate

bis{(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-(propan-2-yl)nonanamide} (2E)-but-2-enedioate

but-2-enedioic acid(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methylnonanamide

but-2-enedioic acid(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-nonanamide

but-2-enedioic acid(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-yl-nonanamide

but-2-enedioic acid(2S,4S,5S,7S)-5-amino-N-(3-amino-3-keto-2,2-dimethyl-propyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-pelargonamide

but-2-enedioic acid173334-58-2

CGP 60536

CGP 60536; CGP60536B; Rasilez; SPP 100; Tekturna

CGP60536B

CGP-60536B

D06412

DA6613700

Enviage

KS-1395

MFCD10566724 [MDL number]

MFCD30179327

Riprazo

SPP-100B

Sprimeo

Tekturna (TN)

UNII:C8A0P8G029

UNII-C8A0P8G029

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

8750478 [DBID]

CGP-60536 [DBID]

SPP 100 [DBID]

SPP 100 | [DBID]

SPP-100 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties

Experimental Solubility:

Miscellaneous

Target Organs:

RAAS inhibitor; ACE inhibitor TargetMol T1520
Chemical Class:

The hemifumarate salt of aliskiren. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53777, 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, version: 14.00

No predicted properties have been calculated for this compound.

Density:
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Index of Refraction:
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#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
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ACD/LogP:
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ACD/LogD (pH 7.4):
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Polar Surface Area:
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Click to predict properties on the Chemicalize site

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Aliskiren fumarate

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