| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Valsartan methyl ester is a prodrug of valsartan, a selective antagonist of the angiotensin II type 1 receptor (AT1R). Angiotensin II is a potent vasoconstrictor that plays a central role in blood pressure regulation and cardiovascular homeostasis. The methyl ester group masks the carboxylic acid group, improving oral absorption. Once absorbed, the ester is rapidly hydrolyzed by esterases in the liver and plasma to release the active drug valsartan, which then selectively and competitively blocks the binding of angiotensin II to the AT1 receptor, leading to vasodilation and reduced blood pressure.
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| ln Vitro |
Valsartan methyl ester itself has little or no intrinsic biological activity; it is a prodrug that is rapidly converted to the active metabolite valsartan. In vitro, the ester is hydrolyzed to valsartan by esterases in plasma and liver microsomes. The active metabolite valsartan is a selective AT1 receptor antagonist with high affinity (IC₅0 of 2.5 nM for the AT1 receptor and 0.24 microM for the AT2 receptor). No specific IC₅0 values for the methyl ester are reported, as it is rapidly hydrolyzed.
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| ln Vivo |
In vivo, valsartan methyl ester is rapidly hydrolyzed to valsartan after oral administration. The active metabolite valsartan then exerts its antihypertensive effects by blocking the AT1 receptor. In clinical use, valsartan is indicated for the treatment of hypertension, heart failure, and to reduce cardiovascular mortality in patients with left ventricular dysfunction after myocardial infarction. As an impurity and intermediate, the methyl ester is not administered alone for therapeutic purposes; it is converted to the active drug in the body.
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| Enzyme Assay |
The binding of valsartan (the active metabolite of valsartan methyl ester) to the AT1 receptor is measured by standard in vitro competitive radioligand binding assays using cell membranes expressing the human AT1 receptor. A radiolabeled angiotensin II analog (e.g., [¹2⁵I]‑Sar¹‑Ile⁸‑angiotensin II) is used as a tracer. The compound is incubated with the membranes at graded concentrations (0.1‑10,000 nM), and the IC₅0 is calculated. The hydrolysis of the methyl ester to valsartan is measured by incubating the compound with plasma or liver microsomes and quantifying valsartan formation by LC‑MS/MS.
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| Cell Assay |
For cellular assays, the prodrug is not used directly. For studies of valsartan activity, cells expressing the AT1 receptor (e.g., CHO‑AT1R cells, vascular smooth muscle cells) are seeded in 96‑well plates. Valsartan (the active metabolite) is added at graded concentrations (0.1‑10,000 nM), and the inhibition of angiotensin II‑induced intracellular calcium flux (measured by Fluo‑4 AM) or inositol phosphate accumulation is measured. The IC₅0 is calculated. The methyl ester itself is not tested in cellular activity assays.
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| Animal Protocol |
No animal experiments for valsartan methyl ester alone are described, as it is a prodrug and impurity. For pharmacokinetic studies, the methyl ester would be administered orally to rats or dogs, and plasma concentrations of both the methyl ester and valsartan would be measured by LC‑MS/MS to assess the rate and extent of hydrolysis. In clinical use, valsartan is administered as the free acid, not the methyl ester. No specific data are provided.
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| ADME/Pharmacokinetics |
Valsartan methyl ester (C2₅H2₉N₅O3, MW = 447.53, CAS 137863‑17‑3) is a solid powder (white to off‑white). For storage, the powder should be kept at -20degC for up to 3 years, sealed and protected from light. For in vitro use, stock solutions in DMSO (10‑50 mM) can be prepared and stored at -80degC for up to 6 months or at -20degC for 1 month. For hydrolysis studies, it can be formulated in acetonitrile or DMSO and diluted into plasma or microsomal buffers. No detailed PK parameters are reported for the methyl ester.
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| Toxicity/Toxicokinetics |
Valsartan methyl ester is an impurity of the drug product valsartan. As a research‑grade compound, it is not intended for human or veterinary use. Standard laboratory safety precautions for handling chemicals should be followed. ARBs are generally well‑tolerated, but the methyl ester may cause irritation. No LD₅0 or formal toxicology studies are available.
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| References | |
| Additional Infomation |
Valsartan methyl ester is the methyl ester prodrug of valsartan, a widely used angiotensin II receptor blocker (ARB). Valsartan (brand name Diovan®) is used to treat hypertension, heart failure, and to reduce cardiovascular mortality after myocardial infarction. The methyl ester is an impurity in the manufacturing process of valsartan and is also used as an intermediate in its synthesis. It is rapidly hydrolyzed to the active carboxylic acid in vivo. The compound is for research use only and has no direct clinical application.
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| Molecular Formula |
C25H31N5O3
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|---|---|
| Molecular Weight |
449.55
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| Exact Mass |
449.242
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| CAS # |
137863-17-3
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| PubChem CID |
11561462
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
647.7±65.0 °C at 760 mmHg
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| Flash Point |
345.5±34.3 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.566
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| LogP |
5.31
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
33
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| Complexity |
623
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O(C([H])([H])[H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N(C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)C([H])([H])C1C([H])=C([H])C(C2=C([H])C([H])=C([H])C([H])=C2C2N=NN([H])N=2)=C([H])C=1[H])=O
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| InChi Key |
UJTNRXYTECQKFO-QHCPKHFHSA-N
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| InChi Code |
InChI=1S/C25H31N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24-26-28-29-27-24/h7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,26,27,28,29)/t23-/m0/s1
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| Chemical Name |
methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
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| Synonyms |
CGP 48933 methyl ester
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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 | 2.2244 mL | 11.1222 mL | 22.2445 mL | |
| 5 mM | 0.4449 mL | 2.2244 mL | 4.4489 mL | |
| 10 mM | 0.2224 mL | 1.1122 mL | 2.2244 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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