173334-58-2

• 常用中文名：阿利克仑半富马酸盐
• 常用英文名：Aliskiren hemifumarate
• CAS号：173334-58-2
• 分子式：C₆₄H₁₁₀N₆O₁₆
• 分子量：1219.59000
• 相关类别： 生物化工 抑制剂 内分泌及激素(Endocrinology & Hormones) RAAS 抑制剂
• 发布时间：2018-03-01 08:00:00
• 更新时间：2024-01-02 19:34:13
• Aliskiren(CGP 60536)半富马酸盐是肾素的直接抑制剂,IC50为1.5 nM。

名称

• 中文名: 阿利吉仑半富马酸盐
• 英文名: Aliskiren hemifumarate
• 中文别名: (2S,4S,5S,7S)-5-氨基-N-(2-氨基甲酰基-2-甲基丙基)-4-羟基-2-异丙基-7-[4-甲氧基-3-(3-甲氧基丙氧基)苄基]-8-甲基壬酰胺半富马酸盐
• 英文别名: 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)

物化性质

• 熔点: 72-75?C
• 分子式: C₆₄H₁₁₀N₆O₁₆
• 分子量: 1219.59000
• 精确质量: 1218.80000
• PSA: 366.86000
• LogP: 9.88180
• 蒸汽压: 1.59E-23mmHg at 25°C
• 储存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

生物活性

• 描述: Aliskiren(CGP 60536)半富马酸盐是肾素的直接抑制剂,IC50为1.5 nM。
• 相关类别:
  信号通路 >> 自噬 >> 自噬
  信号通路 >> 代谢酶/蛋白酶 >> 肾素
  研究领域 >> 心血管疾病
• 参考文献:

  [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.

安全

• 危害码 (欧洲): Xi

合成路线

1236549-06-6 110-17-8 ~97% 173334-58-2

文献：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

文献：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

文献：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

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

110-17-8 324763-47-5 ~% 173334-58-2

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

324763-51-1 ~% 173334-58-2

文献：WO2011/148392 A1, ;

503-74-2 ~% 173334-58-2

文献：WO2011/148392 A1, ;

67744-70-1 ~% 173334-58-2

文献：WO2012/52829 A1, ;

7505-93-3 ~% 173334-58-2

文献：WO2011/148392 A1, ;

上下游产品

上游产品  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
下游产品  1
173334-57-1