139893-43-9
139893-43-9 structure
- Name: Simvastatin ammonium salt
- Chemical Name: Simvastatin Ammonium Salt
- CAS Number: 139893-43-9
- Molecular Formula: C25H43NO6
- Molecular Weight: 453.612
- Catalog: Research Areas Cardiovascular Disease
- Create Date: 2018-03-29 08:00:00
- Modify Date: 2024-01-02 13:05:50
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Simvastatin ammonium is an active metabolite of simvastatin lactone mediated by CYP3A4/5 in the intestinal wall and liver (pKa=5.5). Simvastatin ammonium reduces indoxyl sulfate-mediated reactive oxygen species and modulates OATP3A1 expression in cardiomyocytes and HEK293 cells transfected with the OATP3A1 gene[1].
| Name | Simvastatin Ammonium Salt |
|---|---|
| Synonyms |
Simvastatin hydroxy acid ammonium salt
Simvastatin ammonium salt Ammonium (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate Simvastatin carboxylic acid ammonium salt Tenivastatin ammonium salt azanium,(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate 1-Naphthaleneheptanoate, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-, ammonium salt, (βR,δR,1S,2S,6R,8S,8aR)- (1:1) |
| Description | Simvastatin ammonium is an active metabolite of simvastatin lactone mediated by CYP3A4/5 in the intestinal wall and liver (pKa=5.5). Simvastatin ammonium reduces indoxyl sulfate-mediated reactive oxygen species and modulates OATP3A1 expression in cardiomyocytes and HEK293 cells transfected with the OATP3A1 gene[1]. |
|---|---|
| Related Catalog | |
| Target |
Human Endogenous Metabolite |
| In Vitro | 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[1]. |
| References |
| Molecular Formula | C25H43NO6 |
|---|---|
| Molecular Weight | 453.612 |
| Exact Mass | 453.309052 |
| PSA | 107.30000 |
| LogP | 4.42960 |
| Symbol |
GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H351-H360-H412 |
| Precautionary Statements | P201-P273-P281-P308 + P313 |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | NONH for all modes of transport |