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阿利克仑半富马酸盐 | 173334-58-2

阿利克仑半富马酸盐
Aliskiren hemifumarate
173334-58-2
2(C30H53N3O6).C4H4O4
1219.60
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:阿利克仑半富马酸盐结构式
6918427
简介
Aliskiren (CGP 60536; CGP60536B; SPP 100) hemifumarate 是一种口服有效的、选择性的肾素 (renin) 抑制剂,IC50 为 1.5 nM。Aliskiren hemifumarate 可用于高血压、心血管疾病和癌症恶病质的研究。
名称和标识符
MDL MFCD10566724
InChIKey KLRSDBSKUSSCGU-KRQUFFFQSA-N
Inchi InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(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;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1
SMILES O=C(O)/C=C/C(O)=O.O=C(NCC(C)(C(N)=O)C)[C@@H](C[C@@H]([C@H](C[C@@H](C(C)C)CC1=CC=C(OC)C(OCCCOC)=C1)N)O)C(C)C.O=C(NCC(C)(C(N)=O)C)[C@H](C(C)C)C[C@H](O)[C@@H](N)C[C@@H](C(C)C)CC2=CC=C(OC)C(OCCCOC)=C2
别名信息
- 中文别名 -
  • 阿利克仑半富马酸盐
  • (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
  • 阿立克仑半富马酸盐
  • 阿利吉仑
  • 阿利吉仑-D6半富马酸盐
  • 阿利吉仑半富马酸盐标准品
  • 阿利克伦富马酸盐
  • 富马酸阿利吉仑
  • 还阳碱
  • 阿利克伦半富马酸
  • 半延胡索酸阿利吉仑
  • 阿利G仑半富马酸盐
  • 阿利克伦扮富马酸盐
  • 阿里克伦半富马酸盐
  • 阿利吉仑半富马酸盐
  • 阿利吉仑ALISKIRENHEMIFUMARATE(研发中)
- 英文别名 -
  • Aliskiren hemifumarate
  • (2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide hemifumarate
  • ALISKIREN FUMARATE
  • (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
  • CGP 60536
  • CGP60536B
  • Rasilez
  • SPP 100
  • Tekturna
  • (2S,4S,5S,7S)-N-(2-Carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7diisopropyl-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-octanamide hemifumarate
  • CGP-60536
  • SPP-100
  • Unii-C8A0p8G029
  • skiren heMifuMarate
  • Rasilez HeMifuMarate
  • Tekturna HeMifuMarate
  • Aliskiren-D6 HeMifuMarate
  • (αS,γS,δS,zS)-δ-AMino-N-(3-aMino-2,2-diMethyl-3-oxopropyl)-γ-hydroxy-4-Methoxy-3-(3-Methoxypropoxy)-α,z-bis(1-Methylethyl)benzeneoctanaMide HeMifuMarate
  • (2S,4S,5S,7S)-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-8-methylnonanamide hemifumarate
  • UNII-C8A0P8G029
  • KS-1395
  • TEKTURNA HCT COMPONENT ALISKIREN HEMIFUMARATE
  • RAPRAZO-HCT COMPONENT ALISKIREN HEMIFUMARATE
  • AMTURNIDE COMPONENT ALISKIREN HEMIFUMARATE
  • SCHEMBL187762
  • (?S,?S,?S,?S)-?-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-?-hydroxy-4-methoxy-3-(3-methoxypropoxy)-?,?-bis(1-methylethyl)benzeneoctanamide hemifumarate
  • ALISKIREN HEMIFUMARATE COMPONENT OF AMTURNIDE
  • ALISKIREN HEMIFUMARATE COMPONENT OF RASILAMLO
  • ALISKIREN FUMARATE [MART.]
  • ALISKIREN HEMIFUMARATE COMPONENT OF SPRIMEO-HCT
  • ALISKIREN HEMIFUMARATE COMPONENT OF VALTURNA
  • C8A0P8G029
  • s2199
  • 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-(1-methylethyl)nonanamide) (2E)-but-2-enedioate
  • Aliskiren fumarate [USAN]
  • CGP-60536B
  • ALISKIREN FUMARATE [JAN]
  • CHEBI:53777
  • BA164146
  • Bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-(1-methylethyl)-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide) monofumarate
  • SW222231-1
  • NSC 759185
  • D06412
  • Q27124205
  • Aliskiren fumarate (JAN/USAN)
  • CGP 60536 (hemifumarate)
  • CGP60536B (hemifumarate)
  • SPP 100 (hemifumarate)
  • Tekturna (TN)
  • 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
  • CCG-270658
  • Aliskiren (hemifumarate)
  • EN300-122378
  • HY-12177
  • Aliskiren hemifumarate- Bio-X
  • ALISKIREN HEMIFUMARATE [MI]
  • Riprazo
  • KLRSDBSKUSSCGU-KRQUFFFQSA-N
  • NSC-759185
  • (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)-but-2-enedioic acid
  • RASILEZ-HCT COMPONENT ALISKIREN HEMIFUMARATE
  • Aliskiren 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-(1-methylethyl)nonanamide) (2E)-but-2-enedioate
  • SPRIMEO-HCT COMPONENT ALISKIREN HEMIFUMARATE
  • 173334-58-2
  • RASILAMLO COMPONENT ALISKIREN HEMIFUMARATE
  • Benzeneoctanamide, delta-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-gamma-hydroxy-4-methoxy-3-(3-methoxypropoxy)-alpha,zeta-bis(1-methylethyl)-, (alphaS,gammaS,deltaS,zetaS)-, (2E)-2-butenedioate (2:1) (salt)
  • CS-0729
  • ALISKIREN FUMARATE (MART.)
  • AKOS015896419
  • Z1541759907
  • ALISKIREN HEMIFUMARATE COMPONENT OF TEKAMLO
  • 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-(1-methylethyl)nonanamide] (2E)-but-2-enedioate
  • ALISKIREN HEMIFUMARATE COMPONENT OF RASITRIO
  • ALISKIREN HEMIFUMARATE COMPONENT OF RASILEZ-HCT
  • ALISKIREN FUMARATE [WHO-DD]
  • ALISKIREN HEMIFUMARATE COMPONENT OF TEKTURNA HCT
  • ALISKIRENFUMARATE
  • ALISKIREN HEMIFUMARATE COMPONENT OF RAPRAZO-HCT
  • Aliskiren fumarate [USAN:JAN]
  • ALISKIREN (AS FUMARATE)
  • Enviage
  • ALISKIREN HEMIFUMARATE [ORANGE BOOK]
  • 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
  • ALISKIREN HEMIFUMARATE [VANDF]
  • TEKAMLO COMPONENT ALISKIREN HEMIFUMARATE
  • Sprimeo
  • CHEMBL3545059
  • VALTURNA COMPONENT ALISKIREN HEMIFUMARATE
  • 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
  • (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
  • 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
  • SPP-100B
  • s12129
  • RASITRIO COMPONENT ALISKIREN HEMIFUMARATE
  • CGP 60536 hemifumarate
  • CGP60536B hemifumarate
  • SPP 100 hemifumarate
物化性质
实验特性
LogP 9.88180
PSA 366.86000
沸点 No data available
熔点 72-75?C
蒸气压 No data available
闪点 No data available
溶解度 生物体外In Vitro:H2O≥ 50 mg/mL(41.00 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知.
颜色与性状 No data available
敏感性 对热、光线敏感
计算特性
精确分子量 1218.80000
氢键供体数量 10
氢键受体数量 22
可旋转化学键数量 42
同位素质量 1218.797832
重原子数量 86
复杂度 836
同位素原子数量 0
确定原子立构中心数量 8
不确定原子立构中心数量 0
确定化学键立构中心数量 1
不确定化学键立构中心数量 0
共价键单元数量 3
拓扑分子极性表面积 367
生产方法和用途
用途 阿利克仑半富马酸盐阿利克仑半富马酸盐用于治疗高血压。
专业数据库参考
PubChemId 6918427
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