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145576-25-6

145576-25-6 structure
145576-25-6 structure
  • Name: Acetyl simvastatin
  • Chemical Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
  • CAS Number: 145576-25-6
  • Molecular Formula: C27H40O6
  • Molecular Weight: 460.603
  • Catalog: Research Areas Others
  • Create Date: 2018-03-29 08:00:00
  • Modify Date: 2024-01-04 19:17:47
  • 4-Acetylsimvastatin is an acetylated simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM[1].

Name [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
Synonyms (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Acetoxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester
4'-Acetyl Simvastatin
Acetyl simvastatin
Simvastatin EP Impurity B
Simvastatin Impurity 2
Description 4-Acetylsimvastatin is an acetylated simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM[1].
Related Catalog
References

[1]. Brian Morgan, ey al. Methods for Making Simvastatin and Intermediates. US20110059493A1.

Density 1.1±0.1 g/cm3
Boiling Point 575.2±50.0 °C at 760 mmHg
Molecular Formula C27H40O6
Molecular Weight 460.603
Flash Point 243.2±30.2 °C
Exact Mass 460.282501
PSA 78.90000
LogP 5.31
Vapour Pressure 0.0±1.6 mmHg at 25°C
Index of Refraction 1.520
Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases 26-36

~97%

Detail
Literature: WO2005/40107 A2, ; Page/Page column 41-43; 80-82 ;

~97%

145576-25-6 structure

145576-25-6

Literature: DIVERSA CORPORATION Patent: WO2005/40107 A2, 2005 ; Location in patent: Page/Page column 31; 61 ;
Detail
Literature: WO2005/40107 A2, ; Page/Page column 51-53 ;

~43%

145576-25-6 structure

145576-25-6

Detail
Literature: WO2005/40107 A2, ; Page/Page column 45; 83 ;

~85%

145576-25-6 structure

145576-25-6

Literature: DIVERSA CORPORATION Patent: WO2005/40107 A2, 2005 ; Location in patent: Page/Page column 66; 68 ;