![Ethyl 4'-hydroxy-[1,1'-biphenyl]-4-carboxylate](/upload/1124/V44810.png)
| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
||
| 1g |
|
||
| 5g |
|
||
| Other Sizes |
| Targets |
The compound itself is a chemical building block and does not have a defined biological target. It is not a drug that interacts with specific proteins or enzymes. Its primary use is in organic synthesis as an intermediate. However, studies have evaluated its potential as a phenolic xenoestrogen due to its structural similarity to known endocrine-disrupting compounds.
|
|---|---|
| ln Vitro |
The compound does not exhibit intrinsic biological activity as it is a synthetic intermediate. Its activity is limited to its role as a precursor in chemical reactions. In the context of its potential as a xenoestrogen, it has been evaluated in a recombinant yeast assay.
|
| ln Vivo |
Specific in vivo activity data for this compound are not available. As a synthetic building block, it is not intended for in vivo applications. Its primary use is in the laboratory for the synthesis of other compounds.
|
| Enzyme Assay |
To assess its potential as a xenoestrogen, a recombinant yeast assay was employed. The compound was incubated with yeast cells expressing the human estrogen receptor, and its ability to activate the receptor was measured. This assay is used to evaluate the endocrine-disrupting potential of phenolic compounds.
|
| Cell Assay |
The compound is not utilized in standard cell-based assays as it lacks direct biological activity. It is typically used as a reagent in chemical synthesis, not as a treatment for cells.
|
| Animal Protocol |
There are no established in vivo animal protocols for this compound. It is a research chemical used for synthesis and is not administered to animals for therapeutic or investigational purposes.
|
| ADME/Pharmacokinetics |
Ethyl 4'-hydroxy-[1,1'-biphenyl]-4-carboxylate has a molecular weight of 242.27 and the chemical formula C15H14O3. It is a white to light yellow solid powder. It is soluble in DMSO. The LogP is 3.6, indicating moderate lipophilicity. Storage: Powder at -20°C for 3 years or at 4°C for 2 years.
|
| Toxicity/Toxicokinetics |
Specific toxicity data are not available. It is classified as a potential endocrine disruptor based on in vitro assays. The compound is for research use only and should be handled with standard laboratory safety precautions.
|
| References | |
| Additional Infomation |
Also known as ethyl 4-(4-hydroxyphenyl)benzoate. It has a PubChem CID of 4049156. It is not an approved drug and has no clinical trial history. Its significance lies in its use as a synthetic intermediate for materials like polyesters and in research on endocrine disruption.
|
| Molecular Formula |
C15H14O3
|
|---|---|
| Molecular Weight |
242.26986
|
| Exact Mass |
242.094
|
| CAS # |
50670-76-3
|
| PubChem CID |
4049156
|
| Appearance |
White to light yellow solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
392.0±25.0 °C at 760 mmHg
|
| Melting Point |
142-144ºC (dec.)(lit.)
|
| Flash Point |
165.7±15.9 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.581
|
| LogP |
3.6
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
18
|
| Complexity |
261
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)O
|
| InChi Key |
FYXQIMAAEMCZLV-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C15H14O3/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10,16H,2H2,1H3
|
| Chemical Name |
ethyl 4-(4-hydroxyphenyl)benzoate
|
| 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
|
|---|---|
| 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 | 4.1276 mL | 20.6381 mL | 41.2763 mL | |
| 5 mM | 0.8255 mL | 4.1276 mL | 8.2553 mL | |
| 10 mM | 0.4128 mL | 2.0638 mL | 4.1276 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
