Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Aliskiren hemifumarate
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ShangHai DC Chemicals Co.,Ltd
China
Product Name: Aliskiren Hemifumarate
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DC Chemicals Limited
China
Product Name: Aliskiren Hemifumarate
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Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
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173334-58-2

173334-58-2 structure

Name: Aliskiren hemifumarate
Chemical Name: Aliskiren hemifumarate
CAS Number: 173334-58-2
Molecular Formula: C₆₄H₁₁₀N₆O₁₆
Molecular Weight: 1219.59000
Catalog: Biochemical Inhibitor Endocrinology & Hormones RAAS inhibitor
Create Date: 2018-03-01 08:00:00
Modify Date: 2024-01-02 19:34:13
Aliskiren hemifumarate(CGP 60536) is a direct renin inhibitor with IC50 of 1.5 nM.IC50 value: 1.5 nM [1]Target: reninin 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].

Name	Aliskiren hemifumarate
Synonyms	CGP60536B Aliskiren fumarate tekturna (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) Aliskiren hemifumarate (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) 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) CGP 60536 (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) 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) 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) Rasilez SPP 100 (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 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 Aliskirenhemifumarate Aliskiren (hemifumarate)

Description	Aliskiren hemifumarate(CGP 60536) is a direct renin inhibitor with IC50 of 1.5 nM.IC50 value: 1.5 nM [1]Target: reninin 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].
Related Catalog	Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Metabolic Enzyme/Protease >> Renin Research Areas >> Cardiovascular Disease
References	[1]. Yuji Nakamura, et al. Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor. ACS Med. Chem. Lett., 2012, 3 (9), pp 754–758 [2]. Buczko W, et al. Pharmacokinetics and pharmacodynamics of aliskiren, an oral direct renin inhibitor. Pharmacol Rep. 2008 Sep-Oct;60(5):623-31. [3]. Wood JM, et al. Structure-based design of aliskiren, a novel orally effective renin inhibitor.Biochem Biophys Res Commun, 2003, 308(4), 698-705. [4]. Gradman AH, et al.Aliskiren, a novel orally effective renin inhibitor, provides dose-dependent antihypertensive efficacy and placebo-like tolerability in hypertensive patients. Circulation, 2005, 111(8), 1012-1018.

Melting Point	72-75?C
Molecular Formula	C₆₄H₁₁₀N₆O₁₆
Molecular Weight	1219.59000
Exact Mass	1218.80000
PSA	366.86000
LogP	9.88180
Vapour Pressure	1.59E-23mmHg at 25°C
Storage condition	Hygroscopic, -20°C Freezer, Under Inert Atmosphere

Hazard Codes	Xi

1236549-06-6

110-17-8

~97%

173334-58-2

Literature: CHEMO IBERICA, S. A.; CARCONE, Luca; MAGRONE, Domenico; BARRECA, Giuseppe; RASPARINI, Marcello; LI MING, Huan Patent: WO2013/14191 A1, 2013 ; Location in patent: Page/Page column 19; 20 ;

173338-07-3

110-17-8

~86%

173334-58-2

Literature: CHEMO IBERICA, S. A.; CARCONE, Luca; MAGRONE, Domenico; BARRECA, Giuseppe; RASPARINI, Marcello; LI MING, Huan Patent: WO2013/14191 A1, 2013 ; Location in patent: Page/Page column 19 ;

110-17-8

173334-57-1

~81%

173334-58-2

Literature: JUBILANT LIFE SCIENCES LIMITED; BISWAS, Sujay; SRIMURUGAN, Sankareswaran; KUMAR, Anjul; PANDA, Atulya, Kumar; JAMSHAD, Danish; MASAND, Mukesh; BISWAS, Bidyut; BANSAL, Vikas; GUPTA, Ashish, Kumar; VIR, Dharam Patent: WO2013/61224 A1, 2013 ; Location in patent: Page/Page column 25 ;

173399-03-6

110-17-8

173334-58-2

Literature: WO2003/103653 A1, ; Page 196 ; WO 03/103653 A1

110-17-8

324763-47-5

173334-58-2

Literature: WO2012/52829 A1, ; Page/Page column 16-17 ;

324763-51-1

173334-58-2

Literature: WO2011/148392 A1, ;

503-74-2

173334-58-2

Literature: WO2011/148392 A1, ;

67744-70-1

173334-58-2

Literature: WO2012/52829 A1, ;

7505-93-3

173334-58-2

Literature: WO2011/148392 A1, ;

Precursor 10
1236549-06-6 110-17-8 173338-07-3 173334-57-1
173399-03-6 324763-47-5 324763-51-1 503-74-2
67744-70-1 7505-93-3
DownStream 1
173334-57-1

173334-58-2	1246815-96-2
173400-13-0	173399-03-6
173334-57-1	1196835-68-3
365541-74-8	387353-71-1
866030-33-3	393108-57-1
1158522-08-7	940364-43-2
134104-43-1	131615-57-1
6906-52-1	930439-75-1
2137598-45-7	1018584-77-4
1375289-11-4	849349-65-1