| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Dipentyl phthalate-3,4,5,6-d4 does not have a specific biological target as it is an analytical standard. Its non-deuterated form, dipentyl phthalate, is a phthalate ester that does not exert direct pharmacological effects. Phthalates are known endocrine-disrupting chemicals that can interfere with hormone signaling pathways. Dipentyl phthalate and its metabolites have been detected in environmental and biological samples. The labeled compound serves as an internal standard for the quantification of phthalates and their metabolites in analytical studies.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
The deuterated compound itself does not possess in vitro biological activity, as it is an analytical standard. Its non-deuterated form, dipentyl phthalate, is a plasticizer and not a pharmacologically active agent. Phthalates have been shown to affect cell viability, induce oxidative stress, and interfere with hormonal signaling in vitro. However, dipentyl phthalate is primarily studied as an environmental contaminant rather than a biologically active compound. The labeled compound is used to accurately quantify phthalate levels in biological and environmental samples. |
| ln Vivo |
Dipentyl phthalate-3,4,5,6-d4 does not have in vivo biological activity and is not used for therapeutic purposes. Its non-deuterated form, dipentyl phthalate, is a plasticizer that can be absorbed after exposure and metabolized to monoalkyl phthalates. Phthalates are known to have endocrine-disrupting effects in animal studies. The labeled compound is used as an internal standard in toxicokinetic and biomonitoring studies to quantify exposure to phthalates.
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| Enzyme Assay |
In vitro assays for dipentyl phthalate-3,4,5,6-d4 focus on its use as an analytical standard rather than a receptor-binding agent. A standard protocol for phthalate analysis involves preparing a solution of the compound in an appropriate solvent (e.g., methanol or acetonitrile) and using it as a surrogate standard for GC-MS or LC-MS/MS analysis. The compound is added to samples (e.g., food extracts, environmental water, or biological fluids) before extraction and cleanup procedures. Quantification is performed by monitoring specific mass transitions for the labeled and unlabeled compounds.
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| Cell Assay |
Cell-based experiments are not performed with dipentyl phthalate-3,4,5,6-d4, as it is an analytical standard. The compound is used exclusively in environmental and analytical chemistry. When studying the biological effects of phthalates, non-labeled compounds are used in cell culture assays. The labeled compound is not evaluated in cellular systems.
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| Animal Protocol |
In vivo animal studies are not conducted with dipentyl phthalate-3,4,5,6-d4. When toxicokinetic studies of phthalates are performed in animals, the labeled compound may be used as an internal standard for the quantification of dipentyl phthalate and its metabolites in plasma, urine, and tissue samples. In typical protocols, animals are dosed with phthalates, and biological samples are collected at various time points. The labeled internal standard is added to the samples before LC-MS/MS or GC-MS analysis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of dipentyl phthalate-3,4,5,6-d4 are not characterized, as it is not a drug substance. Its non-deuterated form, dipentyl phthalate, is a phthalate ester that is absorbed after exposure and hydrolyzed to monoalkyl phthalates by esterases. The metabolites are further metabolized and excreted primarily in urine. The labeled compound is used as an internal standard for pharmacokinetic and biomonitoring studies.
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| Toxicity/Toxicokinetics |
Toxicological data for dipentyl phthalate-3,4,5,6-d4 are not available, as it is an analytical standard. Phthalates are known to have endocrine-disrupting properties and have been associated with reproductive and developmental toxicity in animal studies. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves and safety glasses.
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| References | |
| Additional Infomation |
Dipentyl phthalate-3,4,5,6-d4 is a stable isotope-labeled internal standard used for the quantification of phthalates in environmental and biological samples. It is also known as DPP-d4 and di-n-pentyl phthalate-d4. The compound is used in analytical method development, quality control, and environmental monitoring studies. Its mechanism of action is analytical—serving as a surrogate standard for mass spectrometry-based quantification of phthalates.
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| Molecular Formula |
C18H22D4O4
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|---|---|
| Molecular Weight |
310.42
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| Exact Mass |
310.208
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| CAS # |
358730-89-9
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| Related CAS # |
Dipentyl phthalate;131-18-0
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| PubChem CID |
71309030
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
357.0±10.0 °C at 760 mmHg
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| Flash Point |
188.8±8.5 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.496
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| LogP |
5.89
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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 |
12
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| Heavy Atom Count |
22
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| Complexity |
295
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCOC(C1=C([2H])C([2H])=C([2H])C([2H])=C1C(OCCCCC)=O)=O
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| InChi Key |
IPKKHRVROFYTEK-CXRURWBMSA-N
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| InChi Code |
InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3/i7D,8D,11D,12D
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| Chemical Name |
dipentyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
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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 | 3.2214 mL | 16.1072 mL | 32.2144 mL | |
| 5 mM | 0.6443 mL | 3.2214 mL | 6.4429 mL | |
| 10 mM | 0.3221 mL | 1.6107 mL | 3.2214 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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