| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
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| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
Diethyl thiophosphate is a known human metabolite of chlorpyrifos, chlorpyrifos oxyphos, and diazonium. Organophosphate metabolism primarily occurs through oxidation, esterase hydrolysis, and reactions with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphate pesticides can produce moderately toxic products. Generally, thiophosphates themselves are not directly toxic and require oxidative metabolism to be converted into proximal toxins. Products produced by glutathione transferase reactions are generally less toxic. Paraoxygenase (PON1) is a key enzyme in organophosphate metabolism. PON1 can inactivate certain organophosphates through hydrolysis. PON1 can hydrolyze active metabolites in a variety of organophosphate pesticides and nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphism leads to variations in the enzyme level and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effects of organophosphate exposure. |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Summary
S-ethylisothiourea diethyl phosphate is a specific inhibitor of inducible nitric oxide synthase, inhibiting hepatic nitric oxide production. The effects of S-ethylisothiourea diethyl phosphate on systemic hemodynamic parameters are as follows: increased peripheral vascular resistance, increased stroke volume and central blood volume, and improved left ventricular function. (Wikipedia) |
| References | |
| Additional Infomation |
Diethyl hydrogen phosphate is a dialkyl phosphate ester with an ethyl alkyl group. It is a heterologous metabolite in both humans and mice. It is the conjugate acid of diethyl phosphate (1-). Diethyl hydrogen phosphate has been reported in C. elegans, and relevant data are available. Diethyl phosphate is a metabolite and environmental degradation product of chlorpyrifos (CPF; a commonly used diethylthiophosphate organophosphate insecticide), and is usually detected in urine as an exposure biomarker. (A3200)
|
| Molecular Formula |
C4H11O4P
|
|---|---|
| Molecular Weight |
154.1015
|
| Exact Mass |
154.039
|
| CAS # |
598-02-7
|
| Related CAS # |
Diethyl phosphate-d10-1;2483831-48-5
|
| PubChem CID |
654
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
200.3±23.0 °C at 760 mmHg
|
| Melting Point |
6ºC
|
| Flash Point |
74.9±22.6 °C
|
| Vapour Pressure |
0.1±0.8 mmHg at 25°C
|
| Index of Refraction |
1.418
|
| LogP |
0.08
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
9
|
| Complexity |
103
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
P(=O)(O[H])(OC([H])([H])C([H])([H])[H])OC([H])([H])C([H])([H])[H]
|
| InChi Key |
UCQFCFPECQILOL-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
|
| Chemical Name |
diethyl hydrogen phosphate
|
| 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 (~648.93 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.22 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (16.22 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (16.22 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.4893 mL | 32.4465 mL | 64.8929 mL | |
| 5 mM | 1.2979 mL | 6.4893 mL | 12.9786 mL | |
| 10 mM | 0.6489 mL | 3.2446 mL | 6.4893 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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