| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| 500mg |
|
||
| 1g |
|
||
| Other Sizes |
| Targets |
3,5-Bis(4-nitrophenoxy)benzoic acid targets gamma-secretase, inhibiting its activity. It also modulates Notch1 signaling, decreasing the production of C-terminally elongated Notch1 amyloid-β-like peptide (Nβ25) from the full-length receptor.
|
|---|---|
| ln Vitro |
3,5-Bis(4-nitrophenoxy)benzoic acid has been shown to cause a decrease in the released levels of Aβ42 and Notch-1 Aβ-like peptide 25 (Nβ25). It modulates Notch1 signaling and affects transcription modification in HEK293 cells.
|
| ln Vivo |
In vivo activity data for 3,5-Bis(4-nitrophenoxy)benzoic acid is limited. As a gamma-secretase inhibitor and Notch1 signaling modulator, it has potential applications in studying Notch signaling and Alzheimer's disease research.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for 3,5-Bis(4-nitrophenoxy)benzoic acid typically involve cell-free systems using purified gamma-secretase complex or membrane preparations. The compound is incubated with gamma-secretase and a suitable substrate, and enzyme activity is measured by detecting cleavage products. Inhibition of Notch1 signaling can be assessed by measuring Nβ25 peptide production.
|
| Cell Assay |
For in vitro cellular experiments, 3,5-Bis(4-nitrophenoxy)benzoic acid is dissolved in DMSO and diluted in cell culture medium. HEK293 cells or other cell lines expressing Notch1 or APP are treated with the compound at varying concentrations. Production of Aβ42 and Nβ25 peptides is measured by ELISA or mass spectrometry. Notch signaling activity is assessed by measuring downstream target gene expression or reporter activity.
|
| Animal Protocol |
In vivo animal experiments with 3,5-Bis(4-nitrophenoxy)benzoic acid have not been extensively reported. As a research compound, it would typically be formulated in suitable vehicles for administration to mouse models. Pharmacodynamic endpoints would include measurement of Aβ and Nβ25 peptide levels in brain and cerebrospinal fluid, as well as assessment of Notch signaling inhibition in target tissues.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3,5-Bis(4-nitrophenoxy)benzoic acid have not been extensively characterized. The compound has a molecular weight of 396.31 g/mol and a molecular formula of C₁₉H₁₂N₂O₈. Standard PK studies would assess parameters such as half-life, oral bioavailability, and tissue distribution.
|
| Toxicity/Toxicokinetics |
Toxicological data for 3,5-Bis(4-nitrophenoxy)benzoic acid is limited. The compound is intended for research use only and has not been evaluated for human therapeutic safety. Standard safety precautions should be observed during handling.
|
| References |
|
| Additional Infomation |
3,5-bis(4-nitrophenoxy)benzoic acid is an aromatic ether.
3,5-Bis(4-nitrophenoxy)benzoic acid (Compound W) is a gamma-secretase inhibitor and Notch1 signaling modulator. It decreases the production of Aβ42 and Notch-1 Aβ-like peptide 25 (Nβ25). The compound is used as a research tool for studying Notch signaling and Alzheimer's disease. No clinical trials or regulatory approvals have been reported. |
| Molecular Formula |
C19H12N2O8
|
|---|---|
| Molecular Weight |
396.3072
|
| Exact Mass |
396.059
|
| CAS # |
173550-33-9
|
| PubChem CID |
16760376
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.485g/cm3
|
| Boiling Point |
577.655ºC at 760 mmHg
|
| Melting Point |
232 °C
|
| Flash Point |
303.155ºC
|
| Vapour Pressure |
0mmHg at 25°C
|
| Index of Refraction |
1.666
|
| LogP |
5.832
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
29
|
| Complexity |
544
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C1C([H])=C([H])C(=C([H])C=1[H])[N+](=O)[O-])C1C([H])=C(C(=O)O[H])C([H])=C(C=1[H])OC1C([H])=C([H])C(=C([H])C=1[H])[N+](=O)[O-]
|
| InChi Key |
JOSXKPZXMVHRKU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C19H12N2O8/c22-19(23)12-9-17(28-15-5-1-13(2-6-15)20(24)25)11-18(10-12)29-16-7-3-14(4-8-16)21(26)27/h1-11H,(H,22,23)
|
| Chemical Name |
3,5-bis(4-nitrophenoxy)benzoic acid
|
| 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 | 2.5233 mL | 12.6164 mL | 25.2328 mL | |
| 5 mM | 0.5047 mL | 2.5233 mL | 5.0466 mL | |
| 10 mM | 0.2523 mL | 1.2616 mL | 2.5233 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
