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7-Keto Cholesterol-d7

Cat No.:V64792 Purity: ≥98%
7-Keto Cholesterol-d7 is the deuterium labelled form of 7-Keto Cholesterol.
7-Keto Cholesterol-d7
7-Keto Cholesterol-d7 Chemical Structure CAS No.: 127684-08-6
Product category: Isotope-Labeled Compounds
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
Other Sizes

Other Forms of 7-Keto Cholesterol-d7:

  • 7-Ketocholesterol
Official Supplier of:
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Product Description
7-Keto Cholesterol-d7 is the deuterium labelled form of 7-Keto Cholesterol.
7-Keto Cholesterol-d7 (CAS 127684-08-6) is the deuterium-labeled form of 7-keto cholesterol, an oxysterol and labeled metabolite of cholesterol. Its molecular formula is C₂₇H₃₇D₇O₂ with a molecular weight of 407.68 g/mol. The compound contains seven deuterium atoms on the side chain. 7-Keto cholesterol is increased in a variety of chronic diseases, including atherosclerosis. The labeled compound is used as an internal standard for the quantification of 7-keto cholesterol by GC- or LC-MS.
Biological Activity I Assay Protocols (From Reference)
Targets
7-Keto Cholesterol-d7 shares the same molecular characteristics as its non-deuterated form, 7-keto cholesterol. 7-Keto cholesterol is an oxysterol that is formed by the oxidation of cholesterol and is involved in various pathological processes, including inflammation and atherosclerosis. The labeled compound is used as an internal standard for the quantification of 7-keto cholesterol in biological samples.
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 labeled compound does not possess in vitro biological activity. 7-Keto cholesterol is an oxysterol that can induce inflammation and apoptosis in cells, but it is not used as a pharmacological agent. The labeled compound is used as an analytical standard for the quantification of 7-keto cholesterol, not for evaluating its own biological activity.
ln Vivo
7-Keto Cholesterol-d7 does not have in vivo biological activity and is not used for therapeutic purposes. 7-Keto cholesterol is a cholesterol metabolite that is elevated in chronic diseases. The labeled compound is used as an internal standard for the quantification of 7-keto cholesterol in biological samples for research and clinical studies.
Enzyme Assay
In vitro assays for 7-keto cholesterol-d7 focus on its use as an analytical standard. A standard protocol involves preparing a solution of the compound in an appropriate solvent (e.g., methanol) and using it as an internal standard for LC-MS or GC-MS analysis of 7-keto cholesterol in biological samples (e.g., plasma, tissue). The compound is added to samples before extraction and analysis. Quantification is performed by monitoring specific mass transitions.
Cell Assay
In vitro cell culture experiments are not performed with 7-keto cholesterol-d7. When studying the effects of oxysterols in cellular systems, the non-labeled compound is used. Cells are treated with 7-keto cholesterol, and inflammatory or apoptotic markers are measured. The labeled compound is used as an internal standard for LC-MS analysis.
Animal Protocol
In vivo animal studies are not conducted with 7-keto cholesterol-d7. When used in metabolic studies, the labeled compound serves as an internal standard for the quantification of 7-keto cholesterol in animal tissues or biological fluids.
ADME/Pharmacokinetics
Pharmacokinetic properties of 7-keto cholesterol-d7 itself are not characterized, as it is not a drug substance. 7-Keto cholesterol is a cholesterol metabolite that is formed and metabolized in the body. The labeled compound is used as an internal standard for metabolic studies.
Toxicity/Toxicokinetics
7-Keto Cholesterol-d7 is not a therapeutic agent and has not been evaluated for toxicity in humans. 7-Keto cholesterol is an oxysterol that can be pro-inflammatory. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves and safety glasses.
References

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

Additional Infomation
7-Keto Cholesterol-d7 is a stable isotope-labeled internal standard used for the quantification of 7-keto cholesterol in biological samples. It is also known as 7-ketocholesterol-d7. The compound is used in analytical method development, quality control, and metabolic studies.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C27H37D7O2
Molecular Weight
407.68
Exact Mass
407.378
CAS #
127684-08-6
Related CAS #
7-Ketocholesterol;566-28-9
PubChem CID
3247054
Appearance
Typically exists as solid at room temperature
Density
1.0±0.1 g/cm3
Boiling Point
516.7±29.0 °C at 760 mmHg
Melting Point
166-168°C (lit.)
Flash Point
218.5±16.9 °C
Vapour Pressure
0.0±3.0 mmHg at 25°C
Index of Refraction
1.531
LogP
7.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Heavy Atom Count
29
Complexity
663
Defined Atom Stereocenter Count
8
SMILES
C([2H])([2H])([2H])C([2H])(C([2H])([2H])[2H])CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](CC4=CC3=O)O
InChi Key
YIKKMWSQVKJCOP-KVZGVLACSA-N
InChi Code
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1/i1D3,2D3,17D
Chemical Name
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
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 Data
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.4529 mL 12.2645 mL 24.5290 mL
5 mM 0.4906 mL 2.4529 mL 4.9058 mL
10 mM 0.2453 mL 1.2265 mL 2.4529 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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