| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
This compound does not have a specific biological target. The unlabeled parent compound, TCPP, is an industrial chemical used as an additive flame retardant. The deuterated analog (tris(1-Chloropropan-2-yl) phosphate-d18) is an analytical reference standard for environmental monitoring, not a pharmacological agent targeting specific enzymes or receptors.
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|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers that influence measurement during the drug development process. It's possible that the pharmacokinetics and functional range of medications contribute to the concern over mutagenesis [1].
There is no in vitro biological activity for this compound. Its role is analytical, serving as a stable isotope-labeled internal standard for the detection of the flame retardant TCPP. It is not intended for use in cell-based assays to measure biological outcomes. |
| ln Vivo |
There is no in vivo activity for the labeled standard. The parent compound, TCPP, is an environmental contaminant. The labeled standard is used in animal toxicology studies solely as an internal standard to quantify the concentration of TCPP in blood, urine, or tissue samples, allowing researchers to understand its bioaccumulation and elimination.
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| Enzyme Assay |
As an analytical standard, this compound is not used in enzyme/receptor binding assays. A typical GC-MS or LC-MS/MS protocol involves spiking a known amount of the deuterated standard into a sample containing the native analyte. The sample is then extracted and analyzed, with the d18 standard acting as a surrogate to correct for matrix effects and recovery.
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| Cell Assay |
There is no standard cellular protocol for this internal standard. In a cell-based toxicology study, cells (e.g., hepatocytes) are exposed to unlabeled TCPP. The cells are then lysed, and the deuterated standard is added to the lysate during sample preparation. LC-MS/MS is then used to quantify the amount of TCPP that has entered the cells.
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| Animal Protocol |
In an animal study for toxicological assessment, rodents are administered unlabeled TCPP. Tissue samples (e.g., fat, liver, brain) are harvested. The deuterated internal standard is added to the sample prior to extraction (e.g., QuEChERS). The concentration of TCPP is then determined by GC-MS, using the d18 standard to correct for any analyte loss during the extensive sample cleanup process.
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| ADME/Pharmacokinetics |
As an analytical standard, tris(1-Chloropropan-2-yl) phosphate-d18 is not used for its own PK profile. It is a neat substance that can be formulated into analytical standard solutions using organic solvents such as acetone, n-hexane, or isooctane at typical concentrations ranging from 10 ng/mL to 100 ug/mL.
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| Toxicity/Toxicokinetics |
The toxicity of the labeled standard is not significant at the trace levels used for analysis. The unlabeled parent compound, TCPP, is an environmental pollutant and is suspected to be carcinogenic. It has been classified as a substance of very high concern (SVHC). Standard safety precautions for handling organic contaminants should be used.
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| References | |
| Additional Infomation |
TCPP-d18 is a high-purity PESTANAL® analytical standard. It is an organophosphorus flame retardant (OPFR) used in various consumer goods. The specific deuteration pattern (d18) ensures a sufficient mass shift for reliable isotope dilution mass spectrometry (IDMS), enabling the detection of trace amounts of TCPP in complex matrices to study human exposure. This product is for research use only.
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| Molecular Formula |
C9D18CL3O4P
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|---|---|
| Molecular Weight |
345.68
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| Exact Mass |
344.113
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| CAS # |
1447569-78-9
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| PubChem CID |
131668229
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
358.5±22.0 °C at 760 mmHg
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| Flash Point |
249.7±30.0 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.462
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| LogP |
1.53
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
17
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| Complexity |
216
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| Defined Atom Stereocenter Count |
0
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| SMILES |
P(OC(C)CCl)(OC(C)CCl)(OC(C)CCl)=O
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| InChi Key |
KVMPUXDNESXNOH-WMQNGQRQSA-N
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| InChi Code |
InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D,8D,9D
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| Chemical Name |
tris(1-chloro-1,1,2,3,3,3-hexadeuteriopropan-2-yl) phosphate
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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 |
| 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) |
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
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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 | 2.8928 mL | 14.4642 mL | 28.9285 mL | |
| 5 mM | 0.5786 mL | 2.8928 mL | 5.7857 mL | |
| 10 mM | 0.2893 mL | 1.4464 mL | 2.8928 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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