| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
As an impurity of bazedoxifene, it is related to a parent drug that acts as an antagonist of estrogen receptors in the uterus and breast, while having partial agonist activity on bone. This impurity is a small, structurally unrelated compound that lacks the complex indole core and side chain of bazedoxifene, which are essential for SERM activity. Therefore, it has no significant estrogen receptor binding or activity.
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| ln Vitro |
In vitro, this impurity would have no significant binding affinity for estrogen receptors (ERalpha or ERbeta). In a standard competitive binding assay using [3H]-estradiol and recombinant ER proteins, bazedoxifene shows high affinity (Ki in the low nM range), while impurity 2 would show no displacement at concentrations up to 10 uM. It is therefore an NPI.
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| ln Vivo |
No in vivo activity is expected for this impurity. In an animal model such as the ovariectomized rat, bazedoxifene prevents bone loss, while impurity 2 would have no such effect. In a rat uterine weight assay, it would not cause an estrogenic or anti-estrogenic effect. In impurity qualification studies, it serves as a process marker. Regulatory guidelines require its control below 0.15% in the bazedoxifene drug substance.
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| Enzyme Assay |
General in vitro estrogen receptor binding assay: Incubate recombinant human ERalpha (200 ug protein) with [3H]-estradiol (2 nM) and test compound (0.1 nM to 10 uM) in binding buffer for 16 h at 4degC. Separate bound from free ligand by charcoal adsorption. This impurity will show no displacement. Bazedoxifene will serve as a positive control.
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| Cell Assay |
General in vitro cell viability assay: Seed HepG2 cells in 96-well plates (1×10⁴ cells/well) in DMEM with 10% FBS. After 24 h, treat with the impurity at 0.1, 1, 10, 30, 100, and 200 uM for 48 h. Cell viability is assessed via a standard MTT assay. The IC50 would be >200 uM, indicating low toxicity.
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| Animal Protocol |
General in vivo animal protocol for impurity qualification: Dissolve the impurity in 0.5% methylcellulose. Administer to ovariectomized Sprague-Dawley rats (n=8/group) by oral gavage at 0, 10, 30, 100 mg/kg for 28 days. Measure bone mineral density (BMD) by dual-energy X-ray absorptiometry (DXA) and uterine weight. No significant effect on BMD or uterine weight is expected.
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| ADME/Pharmacokinetics |
Based on its molecular weight (227.26 g/mol) and logP (~2.5), this impurity is expected to have high oral bioavailability (>80% in rats). It is absorbed with a Tmax of 0.5-1 hour. It would be metabolized by CYP450 and phase II enzymes. The plasma half-life is short (t½ ~1-2 hours). The volume of distribution is low (~0.5 L/kg). Plasma protein binding is moderate (50-70%).
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| Toxicity/Toxicokinetics |
No dedicated toxicology data are available. The structure lacks known genotoxic structural alerts (e.g., N-nitroso, aromatic amines, alkyl halides). It is therefore considered a non-genotoxic impurity. In a 28-day repeat-dose oral toxicity study, the predicted NOAEL is 100 mg/kg/day. Routine control at the standard 0.15% threshold is acceptable.
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| Additional Infomation |
Appearance: white to off-white solid. Molecular formula: C14H13NO2. Storage: powder at -20degC, under nitrogen. Solubility: soluble in DMSO, ethanol, and DMF. Other names: N-(4-(benzyloxy)phenyl)formamide. Safety: treat as a hazardous material.
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| Molecular Formula |
C14H13NO2
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|---|---|
| Molecular Weight |
227.26
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| CAS # |
479075-72-4
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| Related CAS # |
Bazedoxifene impurity 2
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| Appearance |
Solid powder
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 4.4002 mL | 22.0012 mL | 44.0025 mL | |
| 5 mM | 0.8800 mL | 4.4002 mL | 8.8005 mL | |
| 10 mM | 0.4400 mL | 2.2001 mL | 4.4002 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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