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| Other Sizes |
| Targets |
Captopril EP Impurity D is an impurity of captopril. Captopril itself targets angiotensin-converting enzyme (ACE), which it inhibits with an IC50 of 0.025 µM. The impurity does not have a defined pharmacological target but is used as a reference standard for impurity profiling.
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| ln Vitro |
Captopril EP Impurity D does not exhibit significant pharmacological activity. It is a chemical impurity and a key intermediate in pharmaceutical synthesis. Its primary use is as a reference standard for the identification and quantification of impurities in captopril formulations by HPLC.
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| ln Vivo |
In vivo, Captopril EP Impurity D is not administered as a therapeutic agent. It may be present as a trace impurity in captopril formulations. Its safety and toxicological profile are assessed in the context of pharmaceutical quality control to ensure that impurity levels remain below acceptable limits.
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| Enzyme Assay |
In vitro assays for Captopril EP Impurity D typically involve its use as a reference standard in HPLC or LC-MS methods for impurity profiling of captopril. The compound is characterized by its retention time, UV spectrum, and mass spectrum. System suitability tests are performed to ensure proper separation from captopril and other impurities.
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| Cell Assay |
For in vitro cell assays, Captopril EP Impurity D is not typically used as a treatment. It may be tested for cytotoxicity in cell-based assays to assess its safety as an impurity. Cells are cultured and treated with the compound at various concentrations, and cell viability is assessed by MTT assay. Results are used to establish acceptable impurity limits.
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| Animal Protocol |
For in vivo animal studies, Captopril EP Impurity D is not typically administered as a therapeutic agent. Toxicological studies may be conducted to assess the safety of this impurity at relevant exposure levels. Animals are administered captopril formulations containing the impurity, and toxicological endpoints are monitored.
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| ADME/Pharmacokinetics |
3-Bromoisobutyric acid (MW 167.00) has the molecular formula C4H7BrO2. It is typically a solid at room temperature with a density of 1.625 g/cm³. It is soluble in DMSO (100 mg/mL). The compound is stable as a powder at -20°C for 3 years and at 4°C for 2 years. It is a brominated carboxylic acid and a key intermediate in pharmaceutical synthesis.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available. As a pharmaceutical impurity, its toxicity is assessed in the context of quality control to ensure patient safety. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
[1]. ANCA GABRIELA CÂRJE, et al. HPLC-UV METHOD APPROACH FOR THE ANALYSIS AND IMPURITY PROFILING OF CAPTOPRIL.
[2]. Afrin S, et al. Eritadenine from Edible Mushrooms Inhibits Activity of Angiotensin Converting Enzyme in Vitro. J Agric Food Chem. 2016;64(11):2263-2268. [3]. Esmaeili S, et al. Captopril/enalapril inhibit promiscuous esterase activity of carbonic anhydrase at micromolar concentrations: An in vitro study. Chem Biol Interact. 2017;265:24-35. |
| Additional Infomation |
Captopril EP Impurity D (CAS# 56970-78-6) is a designated European Pharmacopoeia impurity of the ACE inhibitor captopril. It has not been approved as a therapeutic agent. The compound is used as a reference standard in pharmaceutical quality control for impurity profiling of captopril formulations. It is also a key intermediate in pharmaceutical synthesis.
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| Molecular Formula |
C4H7BRO2
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|---|---|
| Molecular Weight |
167.00
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| Exact Mass |
165.963
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| CAS # |
56970-78-6
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| PubChem CID |
304776
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.625g/cm3
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| Boiling Point |
230.5ºC at 760mmHg
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| Flash Point |
93.2ºC
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| Index of Refraction |
1.453
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| LogP |
1.102
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
7
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| Complexity |
72.1
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC([H])([H])C([H])(C(=O)O[H])C([H])([H])[H]
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| InChi Key |
BUPXDXGYFXDDAA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H7BrO2/c1-3(2-5)4(6)7/h3H,2H2,1H3,(H,6,7)
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| Chemical Name |
3-bromo-2-methylpropanoic 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 |
| 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: 100 mg/mL (598.80 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.97 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (14.97 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (14.97 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.9880 mL | 29.9401 mL | 59.8802 mL | |
| 5 mM | 1.1976 mL | 5.9880 mL | 11.9760 mL | |
| 10 mM | 0.5988 mL | 2.9940 mL | 5.9880 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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