![Benzo[a]pyrene-d12 (benzo[a]pyrene-d12)](/upload/1124/63466-71-7.png)
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| Targets |
Benzo[a]pyrene-d12 does not have a specific biological target itself, as it is an analytical standard. However, its unlabeled counterpart, benzo[a]pyrene, is a polycyclic aromatic hydrocarbon (PAH) that is a known carcinogen and mutagen. It is formed during the incomplete combustion of organic matter. Benzo[a]pyrene is classified as a Group 1 carcinogen by the IARC.
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| ln Vitro |
Benzo[a]pyrene-d12 is not typically used for in vitro activity studies in the same way as pharmacologically active compounds. However, it is used as an internal standard in in vitro assays to quantify benzo[a]pyrene levels. It is used in studies of benzo[a]pyrene metabolism, DNA adduct formation, and genotoxicity. The labeled compound allows for accurate quantification of benzo[a]pyrene and its metabolites.
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| ln Vivo |
As an analytical internal standard, Benzo[a]pyrene-d12 is not used for in vivo activity studies. However, it is used as an internal standard in in vivo studies to quantify benzo[a]pyrene levels in biological samples. This is important for assessing exposure to this carcinogen and for studying its toxicokinetics and metabolism in animal models.
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| Enzyme Assay |
In vitro assays for Benzo[a]pyrene-d12 typically involve its use as an internal standard in analytical methods such as GC-MS or LC-MS/MS. It is added to samples to correct for variability in sample preparation and instrument performance, ensuring accurate quantification of benzo[a]pyrene. It may also be used in binding studies to assess the interaction of benzo[a]pyrene with the aryl hydrocarbon receptor (AhR).
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| Cell Assay |
Benzo[a]pyrene-d12 is not used in cell-based assays as a bioactive compound. However, it may be used as an internal standard in cell-based assays that measure the uptake, metabolism, or effects of benzo[a]pyrene on cultured cells. In these applications, the labeled compound is added to cell culture media or cell lysates to enable accurate quantification of benzo[a]pyrene levels.
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| Animal Protocol |
In vivo animal studies using Benzo[a]pyrene-d12 are not typically performed as an active treatment. However, the compound may be administered to animals in metabolic tracing studies to track the fate of benzo[a]pyrene in vivo. In such studies, the labeled compound is used to distinguish between endogenous and exogenous benzo[a]pyrene and to study its metabolism and distribution in various tissues.
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| ADME/Pharmacokinetics |
Benzo[a]pyrene-d12 has a molecular formula of C20D12 and a molecular weight of 264.15. The CAS number is 63466-71-7. It has an isotopic purity of 98 atom % D. The compound is typically supplied as a powder or solution and should be stored according to the manufacturer's recommendations. It is used as an analytical standard.
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| Toxicity/Toxicokinetics |
The toxicity profile of Benzo[a]pyrene-d12 is similar to that of unlabeled benzo[a]pyrene, as it is a deuterated analog. Benzo[a]pyrene is a known carcinogen and mutagen. It is a reproductive, developmental, and systemic toxicant. The compound is intended for research use only and should be handled with extreme caution due to its carcinogenic potential.
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| References |
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| Additional Infomation |
Benzo[a]pyrene-d12 (CAS 63466-71-7) is a perdeuterated isotopologue of benzo[a]pyrene in which all 12 hydrogen atoms are substituted with deuterium. It is an analytical standard used in environmental and toxicological research. It has a molecular formula of C20D12 and a molecular weight of 264.15.
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| Molecular Formula |
C20D12
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| Molecular Weight |
264.38
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| Exact Mass |
264.169
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| CAS # |
63466-71-7
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| Related CAS # |
Benzo[a]pyrene;50-32-8
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| PubChem CID |
12202235
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.348 g/cm3
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| Boiling Point |
495ºC(lit.)
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| Melting Point |
177-180ºC(lit.)
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| Flash Point |
228.6ºC
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| LogP |
5.737
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
0
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
20
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| Complexity |
372
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C2C3=C4C(=C(C2=C1[2H])[2H])C(=C(C5=C4C(=C(C(=C5[2H])[2H])[2H])C(=C3[2H])[2H])[2H])[2H])[2H])[2H]
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| InChi Key |
FMMWHPNWAFZXNH-AQZSQYOVSA-N
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| InChi Code |
InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
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| Chemical Name |
1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]pyrene
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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 | 3.7824 mL | 18.9122 mL | 37.8243 mL | |
| 5 mM | 0.7565 mL | 3.7824 mL | 7.5649 mL | |
| 10 mM | 0.3782 mL | 1.8912 mL | 3.7824 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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