| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
HMG-CoA reductase (3-hydroxy-3-methylglutaryl-coenzyme A reductase), the rate-limiting enzyme in cholesterol biosynthesis.
|
|---|---|
| ln Vitro |
Monacolin J is an inhibitor of cholesterol production that suppresses HMG-CoA reductase activity. 50% reductase inhibition is produced by the sodium salt of Monacolin J at 1.2 μg/mL [1].
In vitro, Monacolin J is an inhibitor of cholesterol production that suppresses HMG-CoA reductase activity. The sodium salt of Monacolin J produces 50% inhibition of reductase at 1.2 µg/mL. As a key intermediate in lovastatin and simvastatin biosynthesis, it serves as a versatile scaffold for developing new statin drug candidates through enzymatic and chemical processes. Recent studies have generated novel derivatives, such as C-6'a-hydroxymethyl monacolin J, which exhibits even greater HMG-CoA reductase inhibitory activity than Monacolin J itself. |
| ln Vivo |
In vivo, Monacolin J has demonstrated potential neuroprotective activities, including protection against oxidative-stress-induced neuron cell death, opening avenues for research in neurodegenerative diseases. It is the essential starting material for green, biocatalytic production of simvastatin using engineered acyltransferases like LovD. Detailed dose-response and pharmacokinetic data in animal models are limited in publicly available literature.
|
| Enzyme Assay |
No specific cell-free HMG-CoA reductase assay protocol is detailed for Monacolin J. For statin compounds, typical cell-free assays involve incubating the compound with purified HMG-CoA reductase enzyme, the substrate HMG-CoA, and the cofactor NADPH. Enzyme activity is measured spectrophotometrically by monitoring the oxidation of NADPH at 340 nm. IC50 values are calculated from dose-response curves.
|
| Cell Assay |
Cellular cholesterol synthesis inhibition is assessed in hepatocyte cell lines (e.g., HepG2 cells). Cells are treated with serial dilutions of Monacolin J, and cholesterol synthesis is measured by incorporation of radiolabeled acetate or by fluorometric assays. HMG-CoA reductase activity can also be measured in cell lysates. Neuroprotective effects are assessed in neuronal cell models of oxidative stress.
|
| Animal Protocol |
In vivo efficacy is evaluated in animal models of hypercholesterolemia or neurodegenerative diseases. Monacolin J is administered via oral gavage or intraperitoneal injection. Endpoints include serum cholesterol levels, hepatic HMG-CoA reductase activity, neurobehavioral tests, and histopathological examination of brain tissue.
|
| ADME/Pharmacokinetics |
Molecular weight: 320.42 g/mol; molecular formula: C19H28O4. CAS No.: 79952-42-4. Solubility: very slightly soluble (0.16 g/L at 25°C). Storage: typical for statin compounds (desiccated, protected from light, -20°C).
|
| Toxicity/Toxicokinetics |
No detailed toxicity data is publicly available. As a statin compound, potential toxicities may include hepatotoxicity, myopathy, and others typical of HMG-CoA reductase inhibitors. Standard toxicological studies would be required for drug development.
|
| References | |
| Additional Infomation |
Monacolin J is a polyketide compound formed by introducing an additional hydroxyl substituent at the 8-position of monacolin L. It possesses antibacterial activity, is a fungal metabolite, and is an inhibitor of EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase). It is a secondary alcohol, polyketide, carbon-bicyclic compound belonging to the 2-pyranone and hexahydronaphthalene classes. Its function is related to that of monacolin L. Monacolin J has been reported in Monascus ruber, and relevant data are available for reference.
Monacolin J is a research-grade compound, not approved for therapeutic use. It is primarily used as a reference standard, a key intermediate in statin synthesis, and a pharmacological tool for studying cholesterol metabolism and statin mechanisms. No clinical trials have been reported. It is a natural product from red yeast rice and a precursor to lovastatin and simvastatin. |
| Molecular Formula |
C₁₉H₂₈O₄
|
|---|---|
| Molecular Weight |
320.42
|
| Exact Mass |
320.198
|
| CAS # |
79952-42-4
|
| PubChem CID |
9905162
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
535.7±50.0 °C at 760 mmHg
|
| Melting Point |
104-114 °C
|
| Flash Point |
191.2±23.6 °C
|
| Vapour Pressure |
0.0±3.2 mmHg at 25°C
|
| Index of Refraction |
1.558
|
| LogP |
1.81
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
23
|
| Complexity |
510
|
| Defined Atom Stereocenter Count |
7
|
| SMILES |
C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O
|
| InChi Key |
ZDFOBOYQVYMVCW-IRUSZSJRSA-N
|
| InChi Code |
InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1
|
| Chemical Name |
(4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
|
| Synonyms |
Lovastatin diol lactone; Antibiotic MB 530A
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~312.09 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.80 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1209 mL | 15.6045 mL | 31.2090 mL | |
| 5 mM | 0.6242 mL | 3.1209 mL | 6.2418 mL | |
| 10 mM | 0.3121 mL | 1.5605 mL | 3.1209 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
