| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
4-Nonylphenol-d5 is an internal standard for mass spectrometry. Its primary "target" is the analytical detection system. It is used to correct for matrix effects and sample preparation losses. The unlabeled compound, 4-nonylphenol, is a weak environmental estrogen that binds to the Estrogen Receptor (ER).
|
|---|---|
| ln Vitro |
4-Nonylphenol-d5 is chemically inert and does not exhibit biological activity in vitro. It is not used in cell-free enzyme or receptor binding assays. Its application is strictly in analytical method development as an internal standard, not as an active biological effector. The parent compound, 4-nonylphenol, is known to bind to the estrogen receptor.
|
| ln Vivo |
4-Nonylphenol-d5 is not used in cell-based activity assays. Its application is strictly in the analytical phase of research. It is added to biological samples (e.g., urine, serum, tissue) or environmental samples (e.g., water, sediment) at a known concentration to serve as an internal standard for sample preparation and data normalization.
|
| Enzyme Assay |
4-Nonylphenol-d5 is not used in cell-free enzyme or receptor binding assays. Its application is in analytical chemistry. The typical protocol for its use as an internal standard involves spiking a known amount of 4-Nonylphenol-d5 into environmental or biological samples (e.g., water, sediment, urine) before sample extraction and purification. The ratio of the analyte to the internal standard is then used for GC-MS or LC-MS/MS quantification.
|
| Cell Assay |
4-Nonylphenol-d5 is not used in pharmacological cell-based assays. Instead, it is a critical component of analytical protocols for measuring 4-nonylphenol levels. It is added to biological samples (from in vivo or in vitro studies) before processing. The concentration of 4-nonylphenol is determined by comparing its mass spectral signal to that of the known amount of 4-Nonylphenol-d5 internal standard.
|
| Animal Protocol |
4-Nonylphenol-d5 is used as a standard in animal toxicology studies. A known amount of the compound is spiked into collected plasma, urine, or tissue samples before processing. It is used solely for analytical correction to accurately measure the concentration of the parent pollutant, 4-nonylphenol, in pharmacokinetic and tissue distribution studies.
|
| ADME/Pharmacokinetics |
As a stable isotope-labeled standard, the pharmacokinetics of 4-Nonylphenol-d5 are identical to the native analyte, 4-nonylphenol. It is absorbed, distributed, metabolized, and excreted via the same pathways, making it a perfect tracer for studying the disposition of this environmental pollutant.
|
| Toxicity/Toxicokinetics |
4-Nonylphenol-d5 has no pharmacological toxicity. Safety concerns are limited to the hazards associated with handling solvents and the properties of the unlabeled compound, which is an endocrine disruptor. Standard safety precautions for handling chemical standards are required.
|
| References | |
| Additional Infomation |
4-Nonylphenol-d5 is a crucial analytical standard for monitoring exposure to nonylphenol ethoxylates (NPEOs), a class of industrial surfactants. Its use in isotope dilution mass spectrometry provides the sensitivity and accuracy required for compliance with environmental regulations and for studying the health impacts of these persistent organic pollutants.
|
| Molecular Formula |
C15H19D5O
|
|---|---|
| Molecular Weight |
225.38
|
| Exact Mass |
225.214
|
| CAS # |
358730-95-7
|
| PubChem CID |
90472216
|
| Appearance |
White to off-white solid powder
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
330.6±11.0 °C at 760 mmHg
|
| Flash Point |
184.2±9.4 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.505
|
| LogP |
6.19
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
16
|
| Complexity |
148
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1CCCCCCCCC)[2H])[2H])O[2H])[2H]
|
| InChi Key |
IGFHQQFPSIBGKE-VQUAKUOWSA-N
|
| InChi Code |
InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3/i10D,11D,12D,13D/hD
|
| Chemical Name |
1,2,4,5-tetradeuterio-3-deuteriooxy-6-nonylbenzene
|
| 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) |
DMSO: ~100 mg/mL (~443.7 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.09 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (11.09 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4370 mL | 22.1848 mL | 44.3695 mL | |
| 5 mM | 0.8874 mL | 4.4370 mL | 8.8739 mL | |
| 10 mM | 0.4437 mL | 2.2185 mL | 4.4370 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
