| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
Chrysene-d12 does not have a specific biological target. It is a deuterated compound used as a tracer in environmental and chemical research. Its primary function is to study the environmental behavior, metabolism, and toxicology of PAHs. The compound is not intended to interact with biological targets.
|
|---|---|
| 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].
Chrysene-d12 is not evaluated for traditional in vitro biological activity. Its "activity" is as a tracer for studying the pathways of PAH degradation and transformation in various environments. It is used in analytical chemistry for the quantification of PAHs. No pharmacological in vitro activity is associated with this compound. |
| ln Vivo |
No in vivo activity is applicable for Chrysene-d12 as a labeled compound. Its use is confined to the laboratory for environmental and chemical research. The compound is not administered to living organisms for any biological effect.
|
| Enzyme Assay |
Chrysene-d12 is used as an internal standard and tracer in environmental analysis. Its performance is assessed by its isotopic purity and its ability to provide accurate and precise quantification of PAHs. The compound is typically analyzed by GC-MS. Its purity (>95%) is a critical parameter for its use as an analytical standard.
|
| Cell Assay |
Chrysene-d12 is not used in standard cell culture for pharmacological studies. It is a chemical reagent used in environmental and analytical research. Its isotopic labeling allows for precise measurement and tracking in various analytical applications. The compound itself is not added to cell culture media.
|
| Animal Protocol |
Chrysene-d12 is used in environmental research to study the behavior and fate of PAHs. It is added to environmental samples as a tracer to understand the pathways of PAH degradation and transformation. The compound is not administered to animals for therapeutic purposes.
|
| ADME/Pharmacokinetics |
Chrysene-d12 has a molecular weight of 240.36 g/mol and a molecular formula of C18D12. It is a deuterated form of chrysene. The compound has a purity of >95% and a boiling point of 448 °C(lit.). It is typically stored at room temperature and is soluble in organic solvents.
|
| Toxicity/Toxicokinetics |
Toxicological data for Chrysene-d12 are not extensively detailed, as it is a research compound. Chrysene itself is a known carcinogen. The compound is not intended for human or veterinary use. Standard laboratory safety precautions should be followed when handling this compound.
|
| References | |
| Additional Infomation |
Chrysene-d12 is a deuterated form of chrysene, a high molecular weight (HMW) polycyclic aromatic hydrocarbon (PAH) with extremely recalcitrant and carcinogenic properties. It is used to study the environmental behavior, metabolism, and toxicology of PAHs and serves as a tracer in understanding the pathways of PAH degradation and transformation. It is not approved for therapeutic use.
|
| Molecular Formula |
C18D12
|
|---|---|
| Molecular Weight |
240.36
|
| Exact Mass |
240.169
|
| CAS # |
1719-03-5
|
| Related CAS # |
Chrysene;218-01-9
|
| PubChem CID |
3083729
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
448.0±0.0 °C at 760 mmHg
|
| Melting Point |
252-254ºC(lit.)
|
| Flash Point |
209.1±13.7 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.771
|
| LogP |
5.91
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
0
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
18
|
| Complexity |
264
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C2C(=C(C4=C(C(=C(C(=C43)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
|
| InChi Key |
WDECIBYCCFPHNR-AQZSQYOVSA-N
|
| InChi Code |
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
|
| Chemical Name |
1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriochrysene
|
| 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) |
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
|
|---|---|
| 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 | 4.1604 mL | 20.8021 mL | 41.6043 mL | |
| 5 mM | 0.8321 mL | 4.1604 mL | 8.3209 mL | |
| 10 mM | 0.4160 mL | 2.0802 mL | 4.1604 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
