SIMVASTATIN
Simvastatin is an HMGCoA reductase inhibitor reducing LDL cholesterol and cardiovascular event risk. Side effects include muscle pain, liver enzyme abnormalities, headache, and rare rhabdomyolysis, particularly at high doses or with interacting drugs. Only GMP materials will be supplied, logistics all according to GDP.
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Product Description
Mechanism of Action
SIMVASTATIN exhibits a broad and highcomplexity biochemical activity spectrum, modulating hierarchical signalling cascades, deep enzymatic networks, mitochondrial functional architecture, cytoskeletal integrity, transcriptionfactor coordination and multiaxis stressresponse systems. Its molecular conformation supports interaction with catalytic pockets, allosteric microdomains, transmembrane helices, regulatory scaffolds, ionchannel architectures and redoxbuffering systems, producing wideranging effects across metabolic, genomic, structural and electrophysiological layers.
Mechanistically, SIMVASTATIN may alter phosphorylation topologies, reshape signallingcascade propagation (ERK, JNK, MAPK, PI3KAKT), amplify or suppress secondmessenger concentrations (Ca²⁺, cAMP, IP, DAG), modify mitochondrial membrane polarity, shift ATP/ADP cycling behaviour, regulate ROSleakage thresholds and influence global metabolic flux distribution. Its capacity to integrate signals from cytosolic, organellebound and membraneanchored proteins makes it suitable for advanced mechanistic interrogation.
HighLevel
- Deep kinomemapping & systemslevel pathwayinterference analysis
- Structural docking, ligandstability modelling & conformational dynamics
- Mitochondrialstress analysis including ETC complex modelling
- UPR, ERstress & integrated autophagy/mitophagy evaluation
- Multiomics network reconstruction (RNAseq, phosphoproteomics, metabolomics)
- Membranedynamics and cytoskeletal mechanotransduction studies
- Advanced cellfate modelling across apoptosis, necroptosis & ferroptosis axes
- Predictive SAR/QSAR pipelines using machinelearning optimisation
Toxicodynamics & Cellular Risk Spectrum
- Rapid ROS escalation & antioxidant-system saturation
- Mitochondrial fragmentation or ETC suppression
- Severe ionic-flux dysregulation (Ca²⁺, Na⁺, K⁺)
- Cytoskeletal collapse & membrane-integrity compromise
- Inflammatory upregulation (NF-κB, STAT, IRF)
- Activation of programmed-cell-death pathways
- Epigenetic drift involving methylation & acetylation instability
For expert not for biological or therapeutic exposure.
Only GMP materials will be supplied, logistics all according to GDP.
Datasheet
| Molecular Formula | C25H38O5 |
|---|---|
| Molecular Weight | 418.6 g/mol |
| CAS Number | 79902-63-9 |
| Storage Condition | Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 – 8 °C. |
| Solubility | Insoluble |
| Purity | Purity information is available upon request (COA). |
| Synonym | simvastatin; 79902-63-9; Zocor; Synvinolin; MK-733 |
| IUPAC/Chemical Name | [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate |
| InChl Key | RYMZZMVNJRMUDD-HGQWONQESA-N |
| InChl Code | InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 |
| References |
3D Conformer.
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