| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg | |||
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| Other Sizes |
ent-Atorvastatin [(3S,5S)-Atorvastatin] is an inactive isomer/enantiomer of Atorvastatin, which is a HMGCR (HMG-CoA reductase) inhibitor and an approved blockbuster drug of the statin class of LDL cholesterol-lowering/hypolipidemic drug. ent-Atorvastatin is able to activate pregnane X receptor (PXR).
| ln Vitro |
CYP2B and CYP3A mRNA levels are increased equally by atorvastatin and its inactive enantiomer (3S,5S)-atorvastatin [1]. At a dose of 100 μM, (3S,5S)-atorvastatin causes luciferase activity, with an EC50 of 12.4 μM [2]. When 3-formylphenylboronic acid (FPBA)/l-tryptophan is added to a mixture, the intensity of l-tryptophan's fluorescence increases [3].
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| Toxicity/Toxicokinetics |
Effects During Pregnancy and Lactation
◉ Overview of Medication Use During Lactation It is generally believed that women taking statins should not breastfeed due to concerns about disrupting the infant's lipid metabolism. However, some argue that children with homozygous familial hypercholesterolemia receiving statin treatment from age 1 have lower oral bioavailability and therefore pose a lower risk to breastfed infants, especially rosuvastatin and pravastatin. Some evidence suggests that atorvastatin use by breastfeeding mothers does not cause significant developmental problems in infants. Until more data are available, especially when breastfeeding newborns or premature infants, alternative medications may be preferred. ◉ Impact on Breastfed Infants In a case series of patients with homozygous familial hypercholesterolemia, 6 patients breastfed a total of 11 infants after restarting statin treatment postpartum. The specific statin drugs used by these women were not reported, but most women receiving statin treatment took atorvastatin at a daily dose of 40 or 80 mg. All offspring had normal early development. All children started school at the appropriate age, and no learning difficulties were reported. ◉ Effects on lactation and breast milk Gynecomastia has been reported in men taking atorvastatin. In one case, serum prolactin levels were normal. In another case, suspected rosuvastatin-induced gynecomastia resolved after the patient switched to atorvastatin. |
| References |
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| Molecular Formula |
C33H35FN2O5
|
|---|---|
| Molecular Weight |
558.65
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| Exact Mass |
558.253
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| CAS # |
501121-34-2
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| Related CAS # |
Atorvastatin;134523-00-5;Atorvastatin-d5 hemicalcium;222412-82-0;(3S,5S)-Atorvastatin sodium salt;1428118-38-0;(rel)-Atorvastatin;110862-48-1;Atorvastatin hemicalcium trihydrate;344920-08-7
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| PubChem CID |
62976
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| Appearance |
Off-white to light yellow solid powder
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| Melting Point |
182-184ºC
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| LogP |
6.386
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
41
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| Complexity |
822
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| Defined Atom Stereocenter Count |
2
|
| SMILES |
CC(C)C1=C(C(=C(N1CC[C@@H](C[C@@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
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| InChi Key |
XUKUURHRXDUEBC-SVBPBHIXSA-N
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| InChi Code |
InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m0/s1
|
| Chemical Name |
(3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
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| Synonyms |
3S,5S-Atorvastatin, Atorvastatin calcium trihydrate impurity E, ent-Atorvastatin
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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) |
DMSO : ~125 mg/mL (~223.76 mM)
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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 | 1.7900 mL | 8.9501 mL | 17.9003 mL | |
| 5 mM | 0.3580 mL | 1.7900 mL | 3.5801 mL | |
| 10 mM | 0.1790 mL | 0.8950 mL | 1.7900 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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