| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Bcl-2 (B-cell lymphoma 2). This compound can bind to Bcl-2 with a low affinity (KD of 400 uM) and has been used as a core structure for the development of more potent inhibitors of this pro-survival protein.
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|---|---|
| ln Vitro |
In cell‑free binding assays, 4-(4-Fluorophenyl)benzoic acid binds to Bcl-2 with a KD value of 400 uM. This relatively weak binding affinity is measured using a fluorescence polarization (FP) or surface plasmon resonance (SPR) assay to determine the binding kinetics and constants.
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| ln Vivo |
This compound is not used directly in cellular or animal efficacy studies as an active drug due to its weak binding. Instead, it serves as a chemical scaffold for medicinal chemistry programs to design and synthesize more potent and selective Bcl-2 inhibitors.
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| Enzyme Assay |
A general cell‑free protocol for assessing Bcl-2 binding: A fluorescence polarization (FP) assay is used. A fluorescently labeled Bak BH3 peptide (a natural Bcl-2 ligand) is incubated with recombinant GST-Bcl-2 protein. The test compound (4-(4-Fluorophenyl)benzoic acid) is added in varying concentrations to compete with the peptide. The decrease in FP is measured, and the KD is calculated.
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| Cell Assay |
This compound is not used directly in cell-based assays as a pharmacological agent. It is used as a chemical reagent to test the activity of new Bcl-2 inhibitors or as a building block in the synthesis of more complex compounds that are evaluated in such assays.
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| Animal Protocol |
This compound is not used directly in animal studies. It is used in the synthesis of experimental anti-cancer drugs, which themselves are evaluated for in vivo efficacy and safety in xenograft models of cancer.
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| ADME/Pharmacokinetics |
General PK protocol for a drug candidate, not this building block. The lipophilicity (LogP of 3.68) and low molecular weight (216.21 g/mol) of the scaffold suggest that any resulting drug candidate would likely have high permeability and a moderate volume of distribution.
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| Toxicity/Toxicokinetics |
General toxicity of the parent compound is low; it is classified as an irritant to the skin and eyes and may cause respiratory irritation (STOT SE 3). The acute toxicity of the compound in animals is not well characterized, but no specific target organ toxicity has been identified for this precursor.
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| References | |
| Additional Infomation |
This building block has a molecular formula of C13H9FO2 and a molecular weight of 216.21 g/mol. Its melting point is 252-253degC. It is also known as 4'-fluoro-4-biphenylcarboxylic acid. This compound is a versatile intermediate for the synthesis of non-peptidic Bcl-2 inhibitors, which are of significant interest in the development of new cancer therapies.
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| Molecular Formula |
C13H9FO2
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|---|---|
| Molecular Weight |
216.21
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| Exact Mass |
216.058
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| CAS # |
5731-10-2
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| PubChem CID |
2782689
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| Appearance |
Solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
369.4±25.0 °C at 760 mmHg
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| Melting Point |
252-253ºC
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| Flash Point |
177.2±23.2 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.589
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| LogP |
3.68
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
16
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| Complexity |
238
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)F
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| InChi Key |
LXWNTLBMNCXRQN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
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| Chemical Name |
4-(4-fluorophenyl)benzoic 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) |
DMSO : ≥ 125 mg/mL (578.14 mM)
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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 | 4.6251 mL | 23.1257 mL | 46.2513 mL | |
| 5 mM | 0.9250 mL | 4.6251 mL | 9.2503 mL | |
| 10 mM | 0.4625 mL | 2.3126 mL | 4.6251 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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