CAS 139893-43-9|Simvastatin ammonium salt
Introduction：Basic information about CAS 139893-43-9|Simvastatin ammonium salt, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Simvastatin ammonium salt | ||
|---|---|---|---|
| CAS Number | 139893-43-9 | Molecular Weight | 453.612 |
| Density | / | Boiling Point | / |
| Molecular Formula | C25H43NO6 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | / |
| Symbol | GHS08 | Signal Word | Danger |
Names
| Name | Simvastatin Ammonium Salt |
|---|---|
| Synonym | More Synonyms |
Simvastatin ammonium salt BiologicalActivity
| 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 | Research Areas >>Cardiovascular Disease |
| 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 | [1]. Atilano-Roque A, et al. Characterization of simvastatin acid uptake by organic anion transporting polypeptide 3A1 (OATP3A1) and influence of drug-drug interaction. Toxicol In Vitro. 2017 Dec;45(Pt 1):158-165. |
Chemical & Physical Properties
| Molecular Formula | C25H43NO6 |
|---|---|
| Molecular Weight | 453.612 |
| Exact Mass | 453.309052 |
| PSA | 107.30000 |
| LogP | 4.42960 |
| InChIKey | FFPDWNBTEIXJJF-OKDJMAGBSA-N |
| SMILES | CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21.[NH4+] |
Safety Information
| 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 |
Articles1
More Articles| Simvastatin decreases steroid production in the H295R cell line and decreases steroids and FSH in female rats. Reprod. Toxicol. 58 , 174-83, (2015) Endocrine modulating effects of Simvastatin (SV) and its metabolite, Simvastatin β-hydroxy acid (SVA), were investigated in H295R cells and in female Sprague-Dawley (SPRD) rats. H295R cells were expos... |
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) |
