| Size | Price | Stock | Qty |
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| 1mg |
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| 2mg | |||
| 5mg | |||
| Other Sizes |
| Targets |
The primary target of 2-Hydroxy atorvastatin lactone is HMG-CoA reductase (HMGCR), the rate-limiting enzyme in cholesterol biosynthesis. By inhibiting HMGCR, the compound reduces cholesterol synthesis and lowers blood lipid levels. As a metabolite of Atorvastatin, it contributes to the lipid-lowering effects of the parent drug. These targets make it relevant for cardiovascular and metabolic research.
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|---|---|
| ln Vitro |
In vitro, 2-Hydroxy atorvastatin lactone demonstrates HMG-CoA reductase inhibitory activity. It is studied in vitro to understand its contribution to the lipid-lowering effects of Atorvastatin. The compound's enzyme inhibition activity is assessed using cell-free or cell-based assays. These in vitro activities support its use in research on cholesterol metabolism, cardiovascular disease, and drug metabolism.
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| ln Vivo |
In vivo, 2-Hydroxy atorvastatin lactone is an active metabolite of Atorvastatin that contributes to the drug's lipid-lowering effects. It is orally active and efficiently reduces blood lipids. The compound is used in research to study the metabolism and pharmacokinetics of Atorvastatin and its active metabolites. Its in vivo effects are primarily studied in the context of Atorvastatin pharmacology.
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| Enzyme Assay |
In vitro enzyme assays for 2-Hydroxy atorvastatin lactone involve measuring HMG-CoA reductase inhibition. The compound is incubated with HMG-CoA reductase enzyme at concentrations ranging from 0.1-1000 nM, and enzyme activity is measured using radiolabeled or spectrophotometric substrates. IC50 values are determined. All assays include appropriate controls and reference compounds (e.g., Atorvastatin).
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| Cell Assay |
In vitro cell-based assays for 2-Hydroxy atorvastatin lactone are conducted using hepatocytes or other cholesterol-producing cell lines. Cells are treated with compound concentrations ranging from 0.1-1000 nM for 24-72 hours. Cholesterol synthesis is measured using radiolabeled acetate or HPLC. HMG-CoA reductase activity is measured in cell lysates. Cell viability is assessed using MTT assays. Experiments include vehicle controls and positive controls (e.g., Atorvastatin).
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| Animal Protocol |
In vivo animal studies with 2-Hydroxy atorvastatin lactone are typically conducted as part of Atorvastatin pharmacokinetic and pharmacodynamic studies. The compound is administered to rodents or other species, and plasma and tissue levels are measured. Lipid-lowering effects are assessed by measuring cholesterol and triglyceride levels. Each group consists of 6-10 animals with vehicle-treated controls. Data are analyzed using standard statistical methods.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-Hydroxy atorvastatin lactone include its formation as a major active metabolite of Atorvastatin. As a small-molecule lactone (MW 556.62, C33H33FN2O5), it is expected to have good bioavailability and tissue distribution. The compound is metabolized and eliminated through pathways typical of statin metabolites. Detailed PK parameters are available from Atorvastatin metabolism studies.
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| Toxicity/Toxicokinetics |
Toxicological data for 2-Hydroxy atorvastatin lactone are derived from Atorvastatin safety studies. As an active metabolite of an approved drug, it is considered to have a favorable safety profile at therapeutic concentrations. No significant toxicity has been attributed specifically to this metabolite. Comprehensive safety data are available from clinical use of Atorvastatin.
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| Additional Infomation |
O-hydroxyatorvastatin lactone is a member of the pyrrole class of compounds.
2-Hydroxy atorvastatin lactone is a major active metabolite of Atorvastatin, an approved anti-hyperlipidemic drug and selective HMG-CoA reductase inhibitor. It is orally active and efficiently reduces blood lipids. The compound is used in research on cholesterol metabolism, cardiovascular disease, and drug metabolism. Not approved as a standalone therapeutic agent; intended for research purposes. |
| Molecular Formula |
C₃₃H₃₃FN₂O₅
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|---|---|
| Molecular Weight |
556.62
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| Exact Mass |
556.237
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| CAS # |
163217-74-1
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| Related CAS # |
Ortho-hydroxy atorvastatin lactone-d5;265989-50-2
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| PubChem CID |
10650434
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| Appearance |
Typically exists as solid at room temperature
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| Melting Point |
110-112ºC
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| LogP |
6.572
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
41
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| Complexity |
874
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| Defined Atom Stereocenter Count |
2
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| SMILES |
FC1C=CC(C2N(CCC3CC(O)CC(=O)O3)C(C(C)C)=C(C(NC3C=CC=CC=3O)=O)C=2C2C=CC=CC=2)=CC=1
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| InChi Key |
MNECBMZJZFGTIK-JWQCQUIFSA-N
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| InChi Code |
InChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,35,40)/t24-,25-/m1/s1
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| Chemical Name |
5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
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| Synonyms |
2Hydroxy atorvastatin lactone 2 Hydroxy atorvastatin lactone
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7966 mL | 8.9828 mL | 17.9656 mL | |
| 5 mM | 0.3593 mL | 1.7966 mL | 3.5931 mL | |
| 10 mM | 0.1797 mL | 0.8983 mL | 1.7966 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.
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