| Size | Price | Stock | Qty |
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| Targets |
Timolol Impurity 1 Maleate is a degradation product or process-related impurity of timolol, a non-selective beta-adrenergic receptor antagonist. As an impurity, it does not represent a therapeutic target but rather a substance that must be controlled in pharmaceutical quality systems. The compound retains the beta-blocking pharmacophore of timolol (the morpholino-thiadiazole and tert-butylamino moieties) but with an esterified maleate modification. Its presence in timolol drug products is regulated by pharmacopoeial specifications (EP, BP, USP), and its levels must be kept below defined thresholds to ensure product quality and patient safety.
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| ln Vitro |
In vitro activity of Timolol Impurity 1 Maleate as a standalone compound is not extensively characterized, as it is an analytical impurity rather than a pharmacologically active drug substance. Based on its structural similarity to timolol, it may exhibit weak beta-adrenergic receptor antagonist activity, though the ester modification likely reduces receptor binding affinity compared to the parent drug. The compound's primary relevance is in analytical chemistry, where it serves as a reference standard for detecting and quantifying timolol-related impurities in pharmaceutical formulations. Its activity is therefore defined by its chromatographic behavior (retention time, UV spectrum) rather than its pharmacological effects.
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| ln Vivo |
In vivo activity of Timolol Impurity 1 Maleate has not been characterized, as it is an analytical impurity standard rather than a therapeutic agent. No pharmacological or toxicological studies of this impurity in animal models have been reported in the public literature. As a related substance of timolol, its systemic exposure in patients would be expected to be minimal due to strict quality control limits imposed by pharmacopoeial standards. Any in vivo effects would depend on the actual level of this impurity present in a timolol drug product, which is typically maintained well below toxicologically relevant concentrations.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Timolol Impurity 1 Maleate are not typically performed, as the compound is used as an analytical reference standard rather than a pharmacological tool. However, if such assays were conducted, they would likely employ beta-adrenergic receptor membrane preparations and radioligand competition binding to assess whether the impurity retains receptor affinity. Standard protocols would involve incubating varying concentrations of the impurity with membrane preparations from cells expressing beta-1 and beta-2 adrenergic receptors, followed by filtration and scintillation counting. Such studies would inform the potential pharmacological activity of this impurity, though this is not a routine requirement for quality control purposes.
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| Cell Assay |
In vitro cellular assays for Timolol Impurity 1 Maleate are not standardly performed, as the compound serves as an analytical reference material rather than a research tool for cellular pharmacology. If evaluated, cell-based assays using beta-adrenergic receptor-expressing cell lines (e.g., HEK-293 cells transfected with beta-1 or beta-2 receptors) could measure the impurity's ability to modulate cAMP production in response to beta-agonist stimulation. Such studies would help characterize the pharmacological profile of this impurity, though they are not required for its intended use in pharmaceutical quality control. The compound's primary application is in HPLC and other analytical methods for impurity profiling.
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| Animal Protocol |
In vivo animal studies with Timolol Impurity 1 Maleate are not performed, as the compound is not a therapeutic agent but rather an analytical reference standard for pharmaceutical quality control. Animal studies would not be relevant or ethically justified for an impurity compound that is not intended for pharmacological development. The safety and toxicological profile of this impurity is typically assessed through the quality control framework of the parent drug product, where impurity levels are controlled based on ICH guidelines for genotoxic and non-genotoxic impurities. No animal efficacy or pharmacology studies have been reported for this compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Timolol Impurity 1 Maleate have not been studied, as it is an analytical impurity standard rather than a drug candidate. The parent drug timolol is well-characterized: it is rapidly absorbed following oral administration, undergoes extensive first-pass hepatic metabolism, and has a plasma half-life of approximately 2-4 hours. As a related substance, this impurity would likely be present at trace levels in timolol products and would not contribute significantly to the overall pharmacokinetic profile of the drug. Its ester functionality may be hydrolyzed in vivo to timolol and maleic acid.
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| Toxicity/Toxicokinetics |
Toxicological data for Timolol Impurity 1 Maleate are not publicly available, as it is an analytical impurity standard rather than a therapeutic agent. In pharmaceutical quality control, the toxicological risk of impurities is assessed through the ICH M7 guideline framework, which evaluates mutagenic potential using in silico (Q)SAR models and, if necessary, in vitro genotoxicity assays. The maleate salt form is generally regarded as safe at the trace levels present in pharmaceutical products. No specific toxicology studies of this impurity have been published, and its safety is managed through strict pharmacopoeial impurity limits in timolol drug products.
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| Additional Infomation |
Timolol Impurity 1 Maleate is an analytical reference standard used for quality control of timolol pharmaceutical products. It is also known as Timolol EP Impurity E, Timolol BP Impurity E, and Timolol USP Related Compound E. The compound is the mono-maleate ester of timolol and is used in analytical method development, validation, and routine QC testing during commercial production. It is not a therapeutic agent and has no clinical development or regulatory approval as a drug. Its use is restricted to laboratory research and pharmaceutical quality control applications.
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| Molecular Formula |
C17H26N4O6S.C₄H₄O₄
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|---|---|
| Molecular Weight |
530.55
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| Exact Mass |
414.157
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| CAS # |
1026075-53-5
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| Related CAS # |
610271-56-2;59697-06-2
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| PubChem CID |
10112466
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
28
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| Complexity |
550
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)OC(=O)/C=C\\C(=O)O
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| InChi Key |
MGIAXRFZDNBKRF-RXNFCKPNSA-N
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| InChi Code |
InChI=1S/C17H26N4O6S/c1-17(2,3)18-10-12(27-14(24)5-4-13(22)23)11-26-16-15(19-28-20-16)21-6-8-25-9-7-21/h4-5,12,18H,6-11H2,1-3H3,(H,22,23)/b5-4-/t12-/m0/s1
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| Chemical Name |
(Z)-4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobut-2-enoic acid
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 1.8848 mL | 9.4242 mL | 18.8484 mL | |
| 5 mM | 0.3770 mL | 1.8848 mL | 3.7697 mL | |
| 10 mM | 0.1885 mL | 0.9424 mL | 1.8848 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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