Molecular Formula | C25H43NO6 |
Molar Mass | 453.61 |
Melting Point | 128-131°C |
Water Solubility | 3.3g/L at 20℃ |
Solubility | DMSO (Sparingly), Ethanol (Slightly), Methanol (Slightly), Water (Slightly) |
Vapor Presure | 0.001Pa at 25℃ |
Appearance | Solid |
Color | White to Off-White |
BRN | 4836426 |
Storage Condition | -20°C |
In vitro study | There is a pH-dependent effect on organic anion transporting polypeptide 3A1 (OATP3A1) uptake, with more efficient simvastatin acid uptake at pH5.5 in HEK293 cells transfected with the OATP3A1 gene. The Michaelis-Menten constant (Km) for simvastatin acid uptake by OATP3A1 was 0.017 μM and the Vmax was 0.995 fmol/min/105 cells. |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R64 - May cause harm to breast-fed babies R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R40 - Limited evidence of a carcinogenic effect R61 - May cause harm to the unborn child |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S24/25 - Avoid contact with skin and eyes. S22 - Do not breathe dust. S53 - Avoid exposure - obtain special instructions before use. |
WGK Germany | 3 |
Reference Show more | 1. [IF=1.902] Yu Zhang et al."A Validated LC-MS/MS Method for Simultaneous Quantification of Simvastatin and Simvastatin Acid in Beagle Plasma: Application to an Absolute Bioavailability Study."Biomedical Chromatography. 2021 Dec 01 |
LogP | 0.28 at 25℃ |
biological activity | Simvastatin ammonium is an active metabolite formed by CYP3A4/5 mediated in intestinal wall and liver simvastatin lactone metabolism (pKa = 5.5). Simvastatin ammonium reduces indole sulfate-mediated reactive oxygen species and regulates OATP3A1 expression in cardiomyocytes and HEK293 cells transfected with OATP3A1 genes. |