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| 5mg | ||
| 10mg | ||
| 25mg | ||
| 50mg | ||
| 100mg |
Simvastatin acid calcium hydrate (Tenivastatin) is an HMG-CoA reductase (HMGCR) inhibitor which can reduce Indoxyl sulfate-mediated reactive oxygen species (ROS) production in human cardiomyocytes.
| Targets |
HMG-CoA reductase (Ki = 0.2 nM)
|
|---|---|
| ln Vitro |
Simvastatin acid (0.1–20 μM; 24 hours) significantly decreased ROS generation in hCM cells treated with indoxyl sulfate by 8.9% to 43% [2]. The protein expression of OATP3A1 in hCM and OATP3A1-expressing HEK293 cells is altered by simvastatin acid (0.1–20 μM; 24 hours) [2].
|
| Cell Assay |
Western Blot Analysis[2]
Cell Types: hCM and HEK293 (transfected with OATP3A1) Tested Concentrations: 0.1, 1, 10 and 20 μM Incubation Duration: 24 hrs (hours) Experimental Results: OATP3A1 expression diminished from 1.5% to 90% in a dose-dependent manner for hCM and OATP3A1-expressing cells. |
| References |
[1]. Eduardo Filipe Oliveira, et al. HMG-CoA Reductase inhibitors: an updated review of patents of novel compounds and formulations (2011-2015). Expert Opin Ther Pat. 2016 Nov;26(11):1257-1272.
[2]. 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. |
| Molecular Formula |
C50H84CAO15
|
|---|---|
| Molecular Weight |
965.270977020264
|
| Exact Mass |
964.544
|
| CAS # |
530112-57-3
|
| Related CAS # |
Simvastatin hydroxy acid sodium;101314-97-0;Simvastatin acid;121009-77-6
|
| PubChem CID |
71587759
|
| Appearance |
Typically exists as solids (or liquids in special cases) at room temperature
|
| LogP |
5.35
|
| tPSA |
241.47
|
| SMILES |
[Ca+2].O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)[O-])O)O)[C@@H]12.O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)[O-])O)O)[C@@H]12.O.O.O
|
| InChi Key |
ZZURQDTUMWWURH-XVIDMKIDSA-L
|
| InChi Code |
InChI=1S/2C25H40O6.Ca.3H2O/c2*1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;;;;/h2*7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);;3*1H2/q;;+2;;;/p-2/t2*15-,16-,18+,19+,20-,21-,23-;;;;/m00..../s1
|
| Chemical Name |
calcium;(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;trihydrate
|
| Synonyms |
Tenivastatin calcium hydrate; UNII-QSL5L73L0O; 530112-57-3; QSL5L73L0O; calcium;(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;trihydrate; DTXSID10201061; Q27287478;
|
| 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) |
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 | 1.0360 mL | 5.1799 mL | 10.3598 mL | |
| 5 mM | 0.2072 mL | 1.0360 mL | 2.0720 mL | |
| 10 mM | 0.1036 mL | 0.5180 mL | 1.0360 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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